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 1m9n_1_A DATA FIRST_RESID 4 DATA SEQUENCE RQQLALLSVS EKAGLVEFAR SLNALGLGLI ASGGTATALR DAGLPVRDVS DATA SEQUENCE DLTGFPEMLG GRVKTLHPAV HAGILARNIP EDNADMNKQD FSLVRVVVCN DATA SEQUENCE LYPFVKTVSS PGVTVPEAVE KIDIGGVALL RAAAKNHARV TVVCDPADYS DATA SEQUENCE SVAKEMAASK DKDTSVETRR HLALKAFTHT AQYDAAISDY FRKEYSKGVS DATA SEQUENCE QLPLRYGMNP HQSPAQLYTT RPKLPLTVVN GSPGFINLCD ALNAWQLVKE DATA SEQUENCE LKQALGIPAA ASFKHVSPAG AAVGIPLSEE EAQVCMVHDL HKTLTPLASA DATA SEQUENCE YARSRGADRM SSFGDFIALS DICDVPTAKI ISREVSDGVV APGYEEEALK DATA SEQUENCE ILSKKKNGGY CVLQMDPNYE PDDNEIRTLY GLQLMQKRNN AVIDRSLFKN DATA SEQUENCE IVTKNKTLPE SAVRDLIVAS IAVKYTQSNS VCYAKDGQVI GIGAGQQSRI DATA SEQUENCE HCTRLAGDKA NSWWLRHHPR VLSMKFKAGV KRAEVSNAID QYVTGTIGED DATA SEQUENCE EDLVKWQAMF EEVPAQLTEA EKKQWIAKLT AVSLSSDAFF PFRDNVDRAK DATA SEQUENCE RIGVQFIVAP SGSAADEVVI EACNELGITL IHTNLRLFHH 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.298 176.300 -0.003 0.000 0.893 4 R CA 0.000 56.101 56.100 0.002 0.000 0.921 4 R CB 0.000 30.306 30.300 0.009 0.000 0.687 5 Q N 3.248 123.044 119.800 -0.006 0.000 2.313 5 Q HA 0.126 4.483 4.340 0.029 0.000 0.266 5 Q C -0.794 175.196 176.000 -0.016 0.000 0.989 5 Q CA 0.160 55.955 55.803 -0.014 0.000 0.890 5 Q CB 0.989 29.717 28.738 -0.017 0.000 1.200 5 Q HN 0.435 nan 8.270 nan 0.000 0.396 6 Q N 2.616 122.403 119.800 -0.022 0.000 2.221 6 Q HA 0.414 4.771 4.340 0.029 0.000 0.242 6 Q C -0.801 175.173 176.000 -0.043 0.000 0.940 6 Q CA -0.625 55.161 55.803 -0.028 0.000 0.896 6 Q CB 1.108 29.830 28.738 -0.026 0.000 1.226 6 Q HN 0.527 nan 8.270 nan 0.000 0.463 7 L N -0.108 121.084 121.223 -0.052 0.000 2.298 7 L HA 0.849 5.207 4.340 0.029 0.000 0.268 7 L C -0.571 176.246 176.870 -0.088 0.000 1.010 7 L CA -0.971 53.827 54.840 -0.069 0.000 0.812 7 L CB 1.016 43.033 42.059 -0.070 0.000 1.331 7 L HN 0.606 nan 8.230 nan 0.000 0.450 8 A N 1.183 123.939 122.820 -0.107 0.000 2.357 8 A HA 0.704 5.041 4.320 0.029 0.000 0.295 8 A C -1.251 176.256 177.584 -0.129 0.000 1.121 8 A CA -0.407 51.550 52.037 -0.134 0.000 0.742 8 A CB 0.949 19.838 19.000 -0.186 0.000 1.181 8 A HN 0.605 nan 8.150 nan 0.000 0.454 9 L N 3.066 124.218 121.223 -0.118 0.000 2.305 9 L HA 0.667 5.024 4.340 0.029 0.000 0.281 9 L C -0.915 175.894 176.870 -0.101 0.000 1.085 9 L CA -0.167 54.609 54.840 -0.107 0.000 0.813 9 L CB 0.737 42.729 42.059 -0.111 0.000 1.157 9 L HN 0.639 nan 8.230 nan 0.000 0.436 10 L N 4.546 125.718 121.223 -0.086 0.000 2.376 10 L HA 0.564 4.921 4.340 0.029 0.000 0.275 10 L C -0.570 176.280 176.870 -0.034 0.000 0.987 10 L CA -0.142 54.658 54.840 -0.067 0.000 0.828 10 L CB 1.767 43.776 42.059 -0.085 0.000 1.249 10 L HN 0.739 nan 8.230 nan 0.000 0.409 11 S N 3.794 119.485 115.700 -0.014 0.000 2.385 11 S HA 0.469 4.956 4.470 0.029 0.000 0.191 11 S C -1.136 173.478 174.600 0.024 0.000 1.196 11 S CA -0.517 57.685 58.200 0.003 0.000 1.178 11 S CB 0.773 63.962 63.200 -0.018 0.000 1.258 11 S HN 0.386 nan 8.310 nan 0.000 0.430 12 V N 2.040 121.986 119.914 0.052 0.000 2.588 12 V HA 0.697 4.835 4.120 0.029 0.000 0.304 12 V C 0.819 176.969 176.094 0.093 0.000 1.042 12 V CA -0.491 61.854 62.300 0.075 0.000 0.877 12 V CB 1.526 33.414 31.823 0.109 0.000 0.996 12 V HN 0.469 nan 8.190 nan 0.000 0.425 13 S N 1.830 117.594 115.700 0.107 0.000 2.395 13 S HA 0.026 4.513 4.470 0.029 0.000 0.225 13 S C 0.831 175.486 174.600 0.092 0.000 1.027 13 S CA 1.176 59.453 58.200 0.129 0.000 0.965 13 S CB -0.101 63.209 63.200 0.184 0.000 0.812 13 S HN 0.957 nan 8.310 nan 0.000 0.482 14 E N 1.722 121.969 120.200 0.078 0.000 2.130 14 E HA 0.187 4.554 4.350 0.029 0.000 0.284 14 E C 0.039 176.684 176.600 0.074 0.000 1.018 14 E CA -0.172 56.263 56.400 0.059 0.000 0.817 14 E CB 0.574 30.295 29.700 0.035 0.000 1.078 14 E HN -0.141 nan 8.360 nan 0.000 0.396 15 K N 2.668 123.110 120.400 0.069 0.000 2.437 15 K HA 0.251 4.588 4.320 0.029 0.000 0.198 15 K C -0.110 176.548 176.600 0.098 0.000 1.024 15 K CA -0.033 56.306 56.287 0.086 0.000 1.148 15 K CB 0.140 32.678 32.500 0.064 0.000 0.860 15 K HN 0.440 nan 8.250 nan 0.000 0.515 16 A N 0.434 123.301 122.820 0.078 0.000 2.454 16 A HA 0.471 4.808 4.320 0.029 0.000 0.260 16 A C 1.283 178.944 177.584 0.129 0.000 1.106 16 A CA 0.664 52.739 52.037 0.064 0.000 0.780 16 A CB -0.137 18.866 19.000 0.006 0.000 1.044 16 A HN 0.498 nan 8.150 nan 0.000 0.498 17 G N 1.335 110.228 108.800 0.155 0.000 2.205 17 G HA2 -0.265 3.712 3.960 0.029 0.000 0.261 17 G HA3 -0.265 3.712 3.960 0.029 0.000 0.261 17 G C 0.899 176.032 174.900 0.388 0.000 0.980 17 G CA 0.843 46.105 45.100 0.270 0.000 0.632 17 G HN 1.498 nan 8.290 nan 0.000 0.533 18 L N 1.238 122.651 121.223 0.316 0.000 1.956 18 L HA -0.028 4.329 4.340 0.029 0.000 0.216 18 L C 2.928 179.854 176.870 0.094 0.000 1.073 18 L CA 3.066 58.020 54.840 0.191 0.000 0.762 18 L CB -1.036 41.105 42.059 0.136 0.000 0.889 18 L HN 0.342 nan 8.230 nan 0.000 0.433 19 V N -0.118 119.843 119.914 0.078 0.000 2.252 19 V HA -0.329 3.808 4.120 0.029 0.000 0.249 19 V C 2.704 178.823 176.094 0.042 0.000 1.056 19 V CA 2.106 64.429 62.300 0.040 0.000 1.022 19 V CB -0.883 30.963 31.823 0.037 0.000 0.641 19 V HN 0.594 nan 8.190 nan 0.000 0.445 20 E N -0.073 120.177 120.200 0.083 0.000 2.051 20 E HA -0.225 4.143 4.350 0.029 0.000 0.192 20 E C 1.923 178.599 176.600 0.126 0.000 0.991 20 E CA 1.444 57.899 56.400 0.092 0.000 0.799 20 E CB -0.515 29.248 29.700 0.106 0.000 0.748 20 E HN 0.471 nan 8.360 nan 0.000 0.449 21 F N 0.829 120.739 119.950 -0.066 0.000 2.134 21 F HA -0.068 4.475 4.527 0.027 0.000 0.299 21 F C 2.057 177.753 175.800 -0.174 0.000 1.097 21 F CA 1.449 59.343 58.000 -0.177 0.000 1.264 21 F CB -1.073 37.606 39.000 -0.534 0.000 1.001 21 F HN 0.096 nan 8.300 nan 0.000 0.479 22 A N 0.688 123.393 122.820 -0.192 0.000 1.883 22 A HA -0.210 4.128 4.320 0.029 0.000 0.217 22 A C 2.433 179.910 177.584 -0.178 0.000 1.186 22 A CA 1.709 53.586 52.037 -0.266 0.000 0.624 22 A CB -0.817 18.088 19.000 -0.158 0.000 0.822 22 A HN 0.407 nan 8.150 nan 0.000 0.444 23 R N -0.675 119.775 120.500 -0.084 0.000 2.113 23 R HA -0.165 4.193 4.340 0.029 0.000 0.244 23 R C 2.635 178.897 176.300 -0.063 0.000 1.142 23 R CA 1.744 57.812 56.100 -0.054 0.000 0.953 23 R CB -0.547 29.744 30.300 -0.014 0.000 0.860 23 R HN 0.531 nan 8.270 nan 0.000 0.438 24 S N 0.645 116.313 115.700 -0.055 0.000 2.356 24 S HA -0.066 4.421 4.470 0.029 0.000 0.223 24 S C 1.952 176.493 174.600 -0.099 0.000 1.032 24 S CA 1.049 59.225 58.200 -0.040 0.000 1.005 24 S CB -0.131 63.091 63.200 0.036 0.000 0.867 24 S HN 0.188 nan 8.310 nan 0.000 0.449 25 L N 1.343 122.441 121.223 -0.209 0.000 2.042 25 L HA -0.164 4.193 4.340 0.029 0.000 0.210 25 L C 2.353 179.135 176.870 -0.146 0.000 1.076 25 L CA 1.640 56.345 54.840 -0.226 0.000 0.749 25 L CB -0.726 41.108 42.059 -0.376 0.000 0.893 25 L HN 0.360 nan 8.230 nan 0.000 0.432 26 N N 0.353 118.973 118.700 -0.134 0.000 2.166 26 N HA -0.156 4.601 4.740 0.029 0.000 0.186 26 N C 1.653 177.124 175.510 -0.065 0.000 1.019 26 N CA 1.223 54.217 53.050 -0.093 0.000 0.856 26 N CB -0.049 38.389 38.487 -0.082 0.000 0.993 26 N HN 0.286 nan 8.380 nan 0.000 0.426 27 A N -0.470 122.316 122.820 -0.057 0.000 2.239 27 A HA 0.102 4.440 4.320 0.029 0.000 0.209 27 A C 1.658 179.222 177.584 -0.033 0.000 1.171 27 A CA 0.483 52.498 52.037 -0.037 0.000 0.768 27 A CB -0.382 18.602 19.000 -0.026 0.000 0.790 27 A HN 0.384 nan 8.150 nan 0.000 0.478 28 L N -2.302 118.894 121.223 -0.044 0.000 2.616 28 L HA 0.303 4.660 4.340 0.029 0.000 0.229 28 L C 1.643 178.491 176.870 -0.037 0.000 1.110 28 L CA 0.730 55.548 54.840 -0.037 0.000 0.884 28 L CB 0.359 42.393 42.059 -0.042 0.000 1.115 28 L HN 0.494 nan 8.230 nan 0.000 0.481 29 G N -0.023 108.751 108.800 -0.043 0.000 2.192 29 G HA2 -0.196 3.781 3.960 0.029 0.000 0.193 29 G HA3 -0.196 3.781 3.960 0.029 0.000 0.193 29 G C 0.112 174.984 174.900 -0.046 0.000 0.999 29 G CA -0.568 44.509 45.100 -0.039 0.000 0.659 29 G HN 0.100 nan 8.290 nan 0.000 0.503 30 L N 1.753 122.939 121.223 -0.062 0.000 2.349 30 L HA 0.598 4.955 4.340 0.029 0.000 0.275 30 L C 1.394 178.219 176.870 -0.076 0.000 1.115 30 L CA -0.166 54.631 54.840 -0.072 0.000 0.820 30 L CB 1.059 43.060 42.059 -0.095 0.000 1.135 30 L HN 0.188 nan 8.230 nan 0.000 0.445 31 G N 3.576 112.336 108.800 -0.066 0.000 2.503 31 G HA2 0.478 4.455 3.960 0.029 0.000 0.257 31 G HA3 0.478 4.455 3.960 0.029 0.000 0.257 31 G C -0.439 174.413 174.900 -0.080 0.000 1.214 31 G CA -0.661 44.401 45.100 -0.064 0.000 0.839 31 G HN 0.439 nan 8.290 nan 0.000 0.559 32 L N 1.998 123.175 121.223 -0.077 0.000 2.265 32 L HA 0.489 4.846 4.340 0.029 0.000 0.289 32 L C -0.016 176.810 176.870 -0.074 0.000 1.033 32 L CA -0.582 54.206 54.840 -0.088 0.000 0.814 32 L CB 1.014 43.019 42.059 -0.089 0.000 1.203 32 L HN 0.482 nan 8.230 nan 0.000 0.423 33 I N 1.059 121.581 120.570 -0.080 0.000 2.569 33 I HA 1.017 5.204 4.170 0.029 0.000 0.296 33 I C -0.394 175.683 176.117 -0.067 0.000 1.028 33 I CA -0.582 60.676 61.300 -0.070 0.000 1.082 33 I CB 2.162 40.116 38.000 -0.077 0.000 1.264 33 I HN 0.586 nan 8.210 nan 0.000 0.429 34 A N 2.926 125.716 122.820 -0.051 0.000 2.610 34 A HA 0.752 5.089 4.320 0.029 0.000 0.291 34 A C -0.465 177.108 177.584 -0.018 0.000 1.086 34 A CA -0.477 51.538 52.037 -0.037 0.000 0.677 34 A CB 1.242 20.224 19.000 -0.031 0.000 1.278 34 A HN 0.963 nan 8.150 nan 0.000 0.414 35 S N 0.129 115.828 115.700 -0.001 0.000 2.584 35 S HA 0.422 4.909 4.470 0.029 0.000 0.270 35 S C 1.462 176.077 174.600 0.025 0.000 1.346 35 S CA 0.106 58.319 58.200 0.022 0.000 1.018 35 S CB 0.792 64.017 63.200 0.042 0.000 0.899 35 S HN 2.077 nan 8.310 nan 0.000 0.542 36 G N 1.412 110.233 108.800 0.035 0.000 2.574 36 G HA2 -0.190 3.787 3.960 0.029 0.000 0.220 36 G HA3 -0.190 3.787 3.960 0.029 0.000 0.220 36 G C 1.370 176.287 174.900 0.030 0.000 1.173 36 G CA 0.905 46.023 45.100 0.030 0.000 0.772 36 G HN 1.017 nan 8.290 nan 0.000 0.585 37 G N -0.287 108.538 108.800 0.042 0.000 2.421 37 G HA2 -0.133 3.845 3.960 0.029 0.000 0.216 37 G HA3 -0.133 3.845 3.960 0.029 0.000 0.216 37 G C 1.854 176.774 174.900 0.034 0.000 1.171 37 G CA 1.766 46.890 45.100 0.041 0.000 0.775 37 G HN 0.413 nan 8.290 nan 0.000 0.543 38 T N 1.390 115.965 114.554 0.034 0.000 2.904 38 T HA 0.143 4.510 4.350 0.029 0.000 0.267 38 T C 2.740 177.445 174.700 0.009 0.000 1.059 38 T CA 1.226 63.341 62.100 0.025 0.000 1.137 38 T CB -0.183 68.699 68.868 0.023 0.000 0.879 38 T HN 0.365 nan 8.240 nan 0.000 0.467 39 A N 1.321 124.144 122.820 0.005 0.000 1.897 39 A HA -0.062 4.276 4.320 0.029 0.000 0.215 39 A C 2.529 180.112 177.584 -0.001 0.000 1.181 39 A CA 1.714 53.747 52.037 -0.005 0.000 0.620 39 A CB -1.144 17.851 19.000 -0.008 0.000 0.821 39 A HN 0.426 nan 8.150 nan 0.000 0.443 40 T N 0.407 114.965 114.554 0.007 0.000 2.759 40 T HA -0.072 4.295 4.350 0.029 0.000 0.269 40 T C 2.127 176.831 174.700 0.008 0.000 1.042 40 T CA 1.620 63.725 62.100 0.007 0.000 1.140 40 T CB -0.346 68.529 68.868 0.012 0.000 0.864 40 T HN 0.583 nan 8.240 nan 0.000 0.455 41 A N 0.918 123.744 122.820 0.011 0.000 1.897 41 A HA 0.145 4.483 4.320 0.029 0.000 0.215 41 A C 2.288 179.876 177.584 0.007 0.000 1.181 41 A CA 0.832 52.877 52.037 0.013 0.000 0.620 41 A CB -0.649 18.364 19.000 0.022 0.000 0.821 41 A HN 0.452 nan 8.150 nan 0.000 0.443 42 L N -0.992 120.231 121.223 0.000 0.000 2.046 42 L HA -0.171 4.186 4.340 0.029 0.000 0.208 42 L C 2.860 179.724 176.870 -0.010 0.000 1.077 42 L CA 1.309 56.144 54.840 -0.009 0.000 0.747 42 L CB -0.513 41.533 42.059 -0.023 0.000 0.896 42 L HN 0.356 nan 8.230 nan 0.000 0.432 43 R N 0.080 120.575 120.500 -0.009 0.000 2.081 43 R HA -0.166 4.191 4.340 0.029 0.000 0.235 43 R C 1.802 178.100 176.300 -0.004 0.000 1.131 43 R CA 1.592 57.687 56.100 -0.008 0.000 0.960 43 R CB -0.374 29.922 30.300 -0.007 0.000 0.856 43 R HN 0.372 nan 8.270 nan 0.000 0.436 44 D N 0.328 120.728 120.400 -0.000 0.000 2.263 44 D HA -0.106 4.551 4.640 0.029 0.000 0.208 44 D C 1.290 177.591 176.300 0.002 0.000 0.971 44 D CA 1.109 55.110 54.000 0.002 0.000 0.867 44 D CB -0.036 40.767 40.800 0.005 0.000 0.929 44 D HN 0.244 nan 8.370 nan 0.000 0.492 45 A N -0.341 122.480 122.820 0.002 0.000 2.251 45 A HA 0.435 4.772 4.320 0.029 0.000 0.209 45 A C 1.662 179.245 177.584 -0.002 0.000 1.187 45 A CA 0.785 52.823 52.037 0.002 0.000 0.823 45 A CB -0.278 18.725 19.000 0.004 0.000 0.846 45 A HN 0.208 nan 8.150 nan 0.000 0.486 46 G N -0.959 107.838 108.800 -0.005 0.000 2.160 46 G HA2 -0.199 3.778 3.960 0.029 0.000 0.244 46 G HA3 -0.199 3.778 3.960 0.029 0.000 0.244 46 G C -0.053 174.840 174.900 -0.012 0.000 1.022 46 G CA 0.379 45.474 45.100 -0.007 0.000 0.741 46 G HN 0.438 nan 8.290 nan 0.000 0.508 47 L N 0.125 121.338 121.223 -0.016 0.000 2.344 47 L HA 0.557 4.914 4.340 0.029 0.000 0.272 47 L C -1.970 174.884 176.870 -0.026 0.000 1.035 47 L CA -2.378 52.448 54.840 -0.024 0.000 0.807 47 L CB 1.721 43.761 42.059 -0.031 0.000 1.237 47 L HN -0.092 nan 8.230 nan 0.000 0.442 48 P HA 0.262 nan 4.420 nan 0.000 0.288 48 P C -0.945 176.332 177.300 -0.039 0.000 1.363 48 P CA -0.125 62.956 63.100 -0.031 0.000 0.837 48 P CB 1.407 33.088 31.700 -0.031 0.000 0.981 49 V N 4.184 124.077 119.914 -0.035 0.000 3.040 49 V HA 0.660 4.797 4.120 0.029 0.000 0.312 49 V C -1.079 174.994 176.094 -0.035 0.000 1.115 49 V CA -1.211 61.065 62.300 -0.040 0.000 0.998 49 V CB 2.719 34.518 31.823 -0.040 0.000 1.042 49 V HN 0.363 nan 8.190 nan 0.000 0.433 50 R N 2.374 122.850 120.500 -0.039 0.000 2.561 50 R HA 0.505 4.862 4.340 0.029 0.000 0.297 50 R C -1.230 175.048 176.300 -0.037 0.000 0.969 50 R CA -0.587 55.492 56.100 -0.036 0.000 0.879 50 R CB 1.434 31.711 30.300 -0.039 0.000 1.178 50 R HN 0.842 nan 8.270 nan 0.000 0.445 51 D N 2.180 122.562 120.400 -0.030 0.000 2.455 51 D HA -0.042 4.615 4.640 0.029 0.000 0.241 51 D C 1.245 177.521 176.300 -0.041 0.000 1.138 51 D CA 0.039 54.023 54.000 -0.027 0.000 0.877 51 D CB 1.373 42.163 40.800 -0.016 0.000 1.187 51 D HN 0.190 nan 8.370 nan 0.000 0.451 52 V N 2.440 122.327 119.914 -0.045 0.000 2.380 52 V HA -0.294 3.843 4.120 0.029 0.000 0.251 52 V C 2.257 178.291 176.094 -0.100 0.000 1.063 52 V CA 2.395 64.650 62.300 -0.075 0.000 1.055 52 V CB -0.559 31.226 31.823 -0.063 0.000 0.657 52 V HN 0.772 nan 8.190 nan 0.000 0.455 53 S N -0.607 115.053 115.700 -0.066 0.000 2.465 53 S HA -0.259 4.228 4.470 0.029 0.000 0.241 53 S C 1.542 176.107 174.600 -0.058 0.000 1.000 53 S CA 1.805 59.971 58.200 -0.058 0.000 0.964 53 S CB -0.525 62.672 63.200 -0.005 0.000 0.763 53 S HN 0.759 nan 8.310 nan 0.000 0.512 54 D N -0.538 119.830 120.400 -0.054 0.000 2.350 54 D HA 0.151 4.809 4.640 0.029 0.000 0.213 54 D C 1.503 177.773 176.300 -0.050 0.000 1.031 54 D CA 0.104 54.075 54.000 -0.047 0.000 0.861 54 D CB 0.008 40.787 40.800 -0.036 0.000 0.926 54 D HN 0.326 nan 8.370 nan 0.000 0.520 55 L N -0.348 120.835 121.223 -0.067 0.000 2.349 55 L HA 0.130 4.488 4.340 0.029 0.000 0.200 55 L C 2.379 179.212 176.870 -0.061 0.000 1.064 55 L CA 1.653 56.454 54.840 -0.064 0.000 0.821 55 L CB -0.945 41.059 42.059 -0.091 0.000 1.027 55 L HN 0.164 nan 8.230 nan 0.000 0.476 56 T N -3.097 111.392 114.554 -0.108 0.000 2.777 56 T HA 0.109 4.476 4.350 0.029 0.000 0.266 56 T C 1.581 176.332 174.700 0.085 0.000 1.040 56 T CA 1.050 63.114 62.100 -0.060 0.000 1.141 56 T CB -0.580 68.019 68.868 -0.448 0.000 0.868 56 T HN 0.657 nan 8.240 nan 0.000 0.444 57 G N 0.617 109.390 108.800 -0.046 0.000 2.159 57 G HA2 -0.114 3.863 3.960 0.029 0.000 0.227 57 G HA3 -0.114 3.863 3.960 0.029 0.000 0.227 57 G C -0.142 174.516 174.900 -0.403 0.000 0.986 57 G CA -0.124 44.849 45.100 -0.211 0.000 0.651 57 G HN 0.574 nan 8.290 nan 0.000 0.523 58 F N 1.817 121.733 119.950 -0.057 0.000 2.532 58 F HA 0.637 5.181 4.527 0.029 0.000 0.321 58 F C -1.596 174.211 175.800 0.011 0.000 1.089 58 F CA -2.427 55.585 58.000 0.020 0.000 0.926 58 F CB 2.101 41.188 39.000 0.144 0.000 1.168 58 F HN -0.136 nan 8.300 nan 0.000 0.459 59 P HA 0.128 nan 4.420 nan 0.000 0.274 59 P C -0.930 176.477 177.300 0.177 0.000 1.256 59 P CA -0.432 62.749 63.100 0.135 0.000 0.795 59 P CB 0.813 32.573 31.700 0.099 0.000 1.038 60 E N 0.696 120.975 120.200 0.131 0.000 2.360 60 E HA 0.229 4.597 4.350 0.029 0.000 0.269 60 E C 0.015 176.683 176.600 0.112 0.000 1.022 60 E CA 0.177 56.657 56.400 0.133 0.000 0.887 60 E CB 0.269 30.033 29.700 0.106 0.000 0.990 60 E HN 0.377 nan 8.360 nan 0.000 0.426 61 M N 1.620 121.282 119.600 0.104 0.000 2.796 61 M HA 0.370 4.867 4.480 0.029 0.000 0.303 61 M C -0.212 176.128 176.300 0.067 0.000 1.240 61 M CA -0.816 54.532 55.300 0.081 0.000 0.831 61 M CB 1.197 33.844 32.600 0.079 0.000 1.750 61 M HN 0.390 nan 8.290 nan 0.000 0.484 62 L N 0.522 121.779 121.223 0.056 0.000 3.678 62 L HA -0.205 4.153 4.340 0.029 0.000 0.425 62 L C 0.659 177.564 176.870 0.058 0.000 1.240 62 L CA 0.602 55.473 54.840 0.051 0.000 0.876 62 L CB -2.747 39.340 42.059 0.046 0.000 1.766 62 L HN 1.248 nan 8.230 nan 0.000 0.917 63 G N -0.655 108.178 108.800 0.055 0.000 2.371 63 G HA2 0.107 4.085 3.960 0.029 0.000 0.299 63 G HA3 0.107 4.085 3.960 0.029 0.000 0.299 63 G C 1.232 176.174 174.900 0.072 0.000 1.014 63 G CA 0.761 45.892 45.100 0.052 0.000 1.097 63 G HN 1.959 nan 8.290 nan 0.000 0.512 64 G N -0.850 108.006 108.800 0.093 0.000 2.234 64 G HA2 -0.365 3.612 3.960 0.029 0.000 0.260 64 G HA3 -0.365 3.612 3.960 0.029 0.000 0.260 64 G C 1.296 176.301 174.900 0.174 0.000 0.987 64 G CA 1.182 46.367 45.100 0.140 0.000 0.625 64 G HN 0.955 nan 8.290 nan 0.000 0.532 65 R N -0.539 120.042 120.500 0.135 0.000 2.152 65 R HA 0.179 4.536 4.340 0.029 0.000 0.232 65 R C 0.493 176.838 176.300 0.074 0.000 1.117 65 R CA 1.443 57.618 56.100 0.125 0.000 0.981 65 R CB 0.087 30.442 30.300 0.092 0.000 0.870 65 R HN 0.362 nan 8.270 nan 0.000 0.451 66 V N 1.039 120.989 119.914 0.060 0.000 2.419 66 V HA 0.187 4.324 4.120 0.029 0.000 0.287 66 V C -0.000 176.135 176.094 0.069 0.000 1.017 66 V CA -0.448 61.861 62.300 0.015 0.000 0.844 66 V CB 1.687 33.489 31.823 -0.035 0.000 1.011 66 V HN 0.148 nan 8.190 nan 0.000 0.429 67 K N 1.678 122.131 120.400 0.090 0.000 2.485 67 K HA 0.136 4.473 4.320 0.029 0.000 0.200 67 K C 1.164 177.938 176.600 0.290 0.000 1.352 67 K CA 0.862 57.253 56.287 0.173 0.000 0.953 67 K CB 1.108 33.680 32.500 0.119 0.000 1.387 67 K HN 0.690 nan 8.250 nan 0.000 0.512 68 T N -1.133 113.534 114.554 0.188 0.000 3.170 68 T HA 0.335 4.703 4.350 0.029 0.000 0.288 68 T C 0.355 175.190 174.700 0.224 0.000 0.992 68 T CA -0.363 61.895 62.100 0.263 0.000 0.909 68 T CB -0.077 68.840 68.868 0.080 0.000 1.133 68 T HN -0.096 nan 8.240 nan 0.000 0.530 69 L N 3.736 124.893 121.223 -0.109 0.000 2.391 69 L HA 0.389 4.746 4.340 0.029 0.000 0.249 69 L C -0.049 176.541 176.870 -0.467 0.000 1.308 69 L CA -0.189 54.539 54.840 -0.188 0.000 1.209 69 L CB -0.666 41.253 42.059 -0.233 0.000 1.401 69 L HN 0.418 nan 8.230 nan 0.000 0.416 70 H N -0.177 118.945 119.070 0.086 0.000 2.961 70 H HA 0.251 4.824 4.556 0.028 0.000 0.371 70 H C -2.080 173.282 175.328 0.057 0.000 1.190 70 H CA -1.912 54.136 56.048 -0.002 0.000 1.138 70 H CB 1.780 31.519 29.762 -0.039 0.000 1.816 70 H HN -0.063 nan 8.280 nan 0.000 0.551 71 P HA -0.114 nan 4.420 nan 0.000 0.217 71 P C 1.443 178.621 177.300 -0.204 0.000 1.150 71 P CA 1.790 64.963 63.100 0.123 0.000 0.832 71 P CB 0.103 31.965 31.700 0.269 0.000 0.787 72 A N -0.452 122.075 122.820 -0.488 0.000 1.892 72 A HA -0.195 4.142 4.320 0.029 0.000 0.218 72 A C 2.350 179.587 177.584 -0.578 0.000 1.188 72 A CA 2.132 53.485 52.037 -1.139 0.000 0.631 72 A CB -1.733 16.870 19.000 -0.662 0.000 0.822 72 A HN 0.042 nan 8.150 nan 0.000 0.447 73 V N -0.472 119.280 119.914 -0.269 0.000 2.244 73 V HA -0.228 3.909 4.120 0.029 0.000 0.244 73 V C 2.439 178.386 176.094 -0.245 0.000 1.042 73 V CA 2.033 64.194 62.300 -0.232 0.000 1.006 73 V CB -1.049 30.659 31.823 -0.192 0.000 0.641 73 V HN 0.663 nan 8.190 nan 0.000 0.446 74 H N -0.094 118.932 119.070 -0.073 0.000 2.423 74 H HA -0.025 4.548 4.556 0.028 0.000 0.297 74 H C 2.319 177.639 175.328 -0.013 0.000 1.075 74 H CA 1.605 57.633 56.048 -0.033 0.000 1.342 74 H CB -0.127 29.627 29.762 -0.013 0.000 1.395 74 H HN 0.469 nan 8.280 nan 0.000 0.530 75 A N 0.781 123.651 122.820 0.083 0.000 1.929 75 A HA -0.037 4.300 4.320 0.029 0.000 0.216 75 A C 2.800 180.428 177.584 0.072 0.000 1.176 75 A CA 1.253 53.367 52.037 0.129 0.000 0.628 75 A CB -0.978 18.205 19.000 0.304 0.000 0.816 75 A HN 0.436 nan 8.150 nan 0.000 0.444 76 G N -0.063 108.716 108.800 -0.034 0.000 2.462 76 G HA2 -0.163 3.814 3.960 0.029 0.000 0.220 76 G HA3 -0.163 3.814 3.960 0.029 0.000 0.220 76 G C 1.423 176.304 174.900 -0.030 0.000 1.121 76 G CA 1.255 46.331 45.100 -0.039 0.000 0.758 76 G HN 0.507 nan 8.290 nan 0.000 0.559 77 I N -0.491 120.055 120.570 -0.040 0.000 2.585 77 I HA 0.123 4.310 4.170 0.029 0.000 0.254 77 I C 2.270 178.393 176.117 0.010 0.000 1.129 77 I CA 0.384 61.665 61.300 -0.032 0.000 1.455 77 I CB 0.046 38.005 38.000 -0.068 0.000 1.111 77 I HN 0.052 nan 8.210 nan 0.000 0.433 78 L N 0.734 121.982 121.223 0.041 0.000 2.446 78 L HA 0.221 4.578 4.340 0.029 0.000 0.219 78 L C 1.365 178.265 176.870 0.049 0.000 1.116 78 L CA -0.342 54.532 54.840 0.057 0.000 0.844 78 L CB -0.298 41.811 42.059 0.084 0.000 0.970 78 L HN 0.092 nan 8.230 nan 0.000 0.457 79 A N 0.833 123.685 122.820 0.053 0.000 2.498 79 A HA 0.337 4.674 4.320 0.029 0.000 0.239 79 A C 0.160 177.761 177.584 0.027 0.000 1.068 79 A CA 0.107 52.173 52.037 0.049 0.000 0.766 79 A CB 0.115 19.153 19.000 0.064 0.000 1.003 79 A HN 0.265 nan 8.150 nan 0.000 0.497 80 R N 0.706 121.219 120.500 0.022 0.000 2.758 80 R HA 0.337 4.694 4.340 0.029 0.000 0.265 80 R C 0.062 176.367 176.300 0.008 0.000 1.016 80 R CA -0.789 55.315 56.100 0.008 0.000 1.040 80 R CB 0.507 30.808 30.300 0.003 0.000 1.152 80 R HN 0.708 nan 8.270 nan 0.000 0.503 81 N N 2.079 120.780 118.700 0.001 0.000 3.210 81 N HA 0.088 4.846 4.740 0.029 0.000 0.314 81 N C -0.930 174.581 175.510 0.002 0.000 1.291 81 N CA -0.091 52.960 53.050 0.002 0.000 1.202 81 N CB -0.426 38.060 38.487 -0.002 0.000 1.475 81 N HN 0.496 nan 8.380 nan 0.000 0.554 82 I N -3.264 117.309 120.570 0.005 0.000 2.828 82 I HA 0.548 4.735 4.170 0.029 0.000 0.302 82 I C -2.101 174.018 176.117 0.005 0.000 1.101 82 I CA -2.556 58.746 61.300 0.004 0.000 1.031 82 I CB 2.215 40.217 38.000 0.004 0.000 1.231 82 I HN -0.204 nan 8.210 nan 0.000 0.427 83 P HA -0.188 nan 4.420 nan 0.000 0.214 83 P C 0.956 178.257 177.300 0.002 0.000 1.169 83 P CA 1.866 64.967 63.100 0.002 0.000 0.908 83 P CB 0.180 31.880 31.700 0.000 0.000 0.791 84 E N -0.355 119.847 120.200 0.003 0.000 2.049 84 E HA -0.206 4.161 4.350 0.029 0.000 0.198 84 E C 1.820 178.423 176.600 0.006 0.000 1.007 84 E CA 1.661 58.063 56.400 0.003 0.000 0.809 84 E CB -1.344 28.359 29.700 0.005 0.000 0.749 84 E HN 0.298 nan 8.360 nan 0.000 0.450 85 D N 0.139 120.547 120.400 0.012 0.000 2.104 85 D HA -0.117 4.540 4.640 0.029 0.000 0.194 85 D C 1.607 177.918 176.300 0.018 0.000 0.994 85 D CA 1.010 55.023 54.000 0.020 0.000 0.830 85 D CB -0.351 40.464 40.800 0.025 0.000 0.959 85 D HN 0.091 nan 8.370 nan 0.000 0.452 86 N N 0.603 119.311 118.700 0.013 0.000 2.061 86 N HA -0.185 4.573 4.740 0.029 0.000 0.193 86 N C 1.748 177.257 175.510 -0.001 0.000 1.030 86 N CA 1.460 54.516 53.050 0.009 0.000 0.856 86 N CB -0.531 37.959 38.487 0.006 0.000 1.023 86 N HN 0.169 nan 8.380 nan 0.000 0.424 87 A N 1.478 124.295 122.820 -0.005 0.000 1.873 87 A HA -0.205 4.133 4.320 0.029 0.000 0.218 87 A C 1.956 179.524 177.584 -0.027 0.000 1.193 87 A CA 2.086 54.114 52.037 -0.015 0.000 0.629 87 A CB -0.846 18.146 19.000 -0.012 0.000 0.826 87 A HN 0.181 nan 8.150 nan 0.000 0.447 88 D N -0.652 119.735 120.400 -0.021 0.000 2.116 88 D HA -0.164 4.493 4.640 0.029 0.000 0.193 88 D C 1.998 178.255 176.300 -0.072 0.000 0.998 88 D CA 1.496 55.475 54.000 -0.036 0.000 0.836 88 D CB -0.247 40.550 40.800 -0.005 0.000 0.951 88 D HN 0.280 nan 8.370 nan 0.000 0.449 89 M N 0.064 119.647 119.600 -0.029 0.000 2.279 89 M HA -0.080 4.417 4.480 0.029 0.000 0.264 89 M C 1.621 177.871 176.300 -0.083 0.000 1.062 89 M CA 1.031 56.317 55.300 -0.024 0.000 1.099 89 M CB -1.082 31.558 32.600 0.067 0.000 1.394 89 M HN 0.138 nan 8.290 nan 0.000 0.426 90 N N 0.276 118.938 118.700 -0.063 0.000 2.080 90 N HA -0.181 4.577 4.740 0.029 0.000 0.189 90 N C 1.676 177.126 175.510 -0.100 0.000 1.036 90 N CA 0.906 53.919 53.050 -0.061 0.000 0.846 90 N CB -0.072 38.393 38.487 -0.037 0.000 1.015 90 N HN 0.092 nan 8.380 nan 0.000 0.423 91 K N 1.232 121.565 120.400 -0.112 0.000 2.160 91 K HA -0.144 4.194 4.320 0.029 0.000 0.206 91 K C 1.356 177.840 176.600 -0.192 0.000 1.047 91 K CA 1.465 57.678 56.287 -0.122 0.000 0.930 91 K CB 0.097 32.534 32.500 -0.105 0.000 0.720 91 K HN 0.216 nan 8.250 nan 0.000 0.450 92 Q N -0.296 119.299 119.800 -0.341 0.000 2.319 92 Q HA 0.046 4.403 4.340 0.029 0.000 0.209 92 Q C -0.199 175.516 176.000 -0.475 0.000 0.884 92 Q CA 0.438 55.883 55.803 -0.596 0.000 0.938 92 Q CB 0.576 28.521 28.738 -1.322 0.000 1.098 92 Q HN 0.333 nan 8.270 nan 0.000 0.517 93 D N -0.040 120.227 120.400 -0.221 0.000 2.800 93 D HA -0.168 4.489 4.640 0.029 0.000 0.232 93 D C -1.313 175.095 176.300 0.180 0.000 1.137 93 D CA 0.294 54.282 54.000 -0.020 0.000 0.718 93 D CB -1.067 39.741 40.800 0.013 0.000 1.084 93 D HN 0.018 nan 8.370 nan 0.000 0.432 94 F N 0.676 120.631 119.950 0.009 0.000 2.396 94 F HA 0.425 4.968 4.527 0.028 0.000 0.343 94 F C 1.463 177.263 175.800 0.001 0.000 1.104 94 F CA -1.062 56.943 58.000 0.009 0.000 1.161 94 F CB 1.324 40.334 39.000 0.017 0.000 1.146 94 F HN -0.263 nan 8.300 nan 0.000 0.522 95 S N 3.079 118.880 115.700 0.168 0.000 2.645 95 S HA 0.558 5.045 4.470 0.029 0.000 0.266 95 S C -0.187 174.441 174.600 0.046 0.000 1.258 95 S CA -0.708 57.536 58.200 0.073 0.000 0.990 95 S CB 0.976 64.191 63.200 0.025 0.000 0.967 95 S HN 0.376 nan 8.310 nan 0.000 0.556 96 L N 1.954 123.190 121.223 0.023 0.000 2.275 96 L HA 0.407 4.764 4.340 0.029 0.000 0.288 96 L C -0.805 176.052 176.870 -0.022 0.000 1.046 96 L CA -0.734 54.110 54.840 0.008 0.000 0.805 96 L CB 1.259 43.325 42.059 0.011 0.000 1.193 96 L HN 0.331 nan 8.230 nan 0.000 0.426 97 V N 4.660 124.552 119.914 -0.037 0.000 2.432 97 V HA 0.188 4.325 4.120 0.029 0.000 0.271 97 V C 1.038 177.104 176.094 -0.047 0.000 1.046 97 V CA -0.181 62.085 62.300 -0.057 0.000 0.945 97 V CB 1.166 32.940 31.823 -0.081 0.000 0.992 97 V HN 0.787 nan 8.190 nan 0.000 0.471 98 R N 3.821 124.290 120.500 -0.051 0.000 2.206 98 R HA 0.243 4.600 4.340 0.029 0.000 0.198 98 R C -0.175 176.098 176.300 -0.046 0.000 0.986 98 R CA 0.546 56.621 56.100 -0.042 0.000 1.029 98 R CB 0.627 30.902 30.300 -0.041 0.000 0.966 98 R HN 0.563 nan 8.270 nan 0.000 0.487 99 V N 1.405 121.280 119.914 -0.066 0.000 2.686 99 V HA 0.375 4.512 4.120 0.029 0.000 0.306 99 V C -0.917 175.131 176.094 -0.077 0.000 1.065 99 V CA -0.897 61.364 62.300 -0.066 0.000 0.894 99 V CB 2.090 33.854 31.823 -0.099 0.000 1.004 99 V HN -0.202 nan 8.190 nan 0.000 0.424 100 V N 4.931 124.814 119.914 -0.052 0.000 2.409 100 V HA 0.529 4.666 4.120 0.029 0.000 0.291 100 V C -0.456 175.627 176.094 -0.019 0.000 1.020 100 V CA -0.537 61.729 62.300 -0.057 0.000 0.848 100 V CB 1.975 33.757 31.823 -0.067 0.000 0.990 100 V HN 0.638 nan 8.190 nan 0.000 0.430 101 V N 4.369 124.272 119.914 -0.019 0.000 2.376 101 V HA 0.588 4.725 4.120 0.029 0.000 0.287 101 V C -0.323 175.791 176.094 0.035 0.000 1.015 101 V CA -0.409 61.922 62.300 0.052 0.000 0.834 101 V CB 1.390 33.241 31.823 0.046 0.000 1.001 101 V HN 1.009 nan 8.190 nan 0.000 0.428 102 C N 5.787 125.110 119.300 0.038 0.000 2.891 102 C HA 0.813 5.290 4.460 0.029 0.000 0.342 102 C C -0.953 174.033 174.990 -0.007 0.000 1.126 102 C CA -0.494 58.528 59.018 0.007 0.000 1.322 102 C CB 1.255 28.973 27.740 -0.037 0.000 1.763 102 C HN 1.092 nan 8.230 nan 0.000 0.491 103 N N 4.257 122.959 118.700 0.003 0.000 2.312 103 N HA 0.796 5.553 4.740 0.029 0.000 0.296 103 N C -1.330 174.176 175.510 -0.007 0.000 1.193 103 N CA -0.877 52.163 53.050 -0.017 0.000 0.773 103 N CB 0.958 39.438 38.487 -0.012 0.000 1.435 103 N HN 0.669 nan 8.380 nan 0.000 0.484 104 L N 0.010 121.223 121.223 -0.017 0.000 2.387 104 L HA 0.456 4.813 4.340 0.029 0.000 0.266 104 L C -0.182 176.765 176.870 0.127 0.000 1.059 104 L CA -1.298 53.488 54.840 -0.089 0.000 0.801 104 L CB 0.285 42.085 42.059 -0.432 0.000 1.223 104 L HN 0.483 nan 8.230 nan 0.000 0.456 105 Y N 1.048 121.398 120.300 0.084 0.000 2.969 105 Y HA -0.029 4.538 4.550 0.030 0.000 0.339 105 Y C -1.783 174.255 175.900 0.229 0.000 1.272 105 Y CA -2.085 56.104 58.100 0.149 0.000 1.577 105 Y CB -0.762 37.807 38.460 0.181 0.000 1.234 105 Y HN 0.293 nan 8.280 nan 0.000 0.590 106 P HA -0.009 nan 4.420 nan 0.000 0.241 106 P C 0.609 178.032 177.300 0.205 0.000 1.760 106 P CA 0.267 63.505 63.100 0.231 0.000 1.081 106 P CB -0.720 31.047 31.700 0.112 0.000 1.975 107 F N 2.510 122.560 119.950 0.167 0.000 2.113 107 F HA -0.209 4.335 4.527 0.029 0.000 0.297 107 F C 1.925 177.656 175.800 -0.114 0.000 1.103 107 F CA 1.576 59.553 58.000 -0.038 0.000 1.248 107 F CB -0.384 38.479 39.000 -0.229 0.000 0.999 107 F HN -0.103 nan 8.300 nan 0.000 0.475 108 V N 1.081 121.054 119.914 0.099 0.000 2.287 108 V HA -0.325 3.812 4.120 0.029 0.000 0.248 108 V C 2.622 178.644 176.094 -0.121 0.000 1.053 108 V CA 2.210 64.497 62.300 -0.023 0.000 1.027 108 V CB -0.784 31.095 31.823 0.092 0.000 0.646 108 V HN 0.279 nan 8.190 nan 0.000 0.447 109 K N -0.004 120.364 120.400 -0.054 0.000 2.063 109 K HA -0.197 4.141 4.320 0.029 0.000 0.208 109 K C 2.181 178.698 176.600 -0.138 0.000 1.048 109 K CA 2.255 58.502 56.287 -0.066 0.000 0.928 109 K CB -0.575 31.914 32.500 -0.019 0.000 0.713 109 K HN 0.562 nan 8.250 nan 0.000 0.442 110 T N 1.238 115.667 114.554 -0.208 0.000 2.674 110 T HA -0.132 4.235 4.350 0.029 0.000 0.265 110 T C 1.827 176.312 174.700 -0.358 0.000 1.039 110 T CA 1.874 63.810 62.100 -0.274 0.000 1.150 110 T CB -0.362 68.313 68.868 -0.323 0.000 0.864 110 T HN 0.270 nan 8.240 nan 0.000 0.427 111 V N -0.149 119.426 119.914 -0.565 0.000 3.141 111 V HA 0.027 4.165 4.120 0.029 0.000 0.265 111 V C 2.244 178.197 176.094 -0.235 0.000 1.126 111 V CA 1.363 63.357 62.300 -0.510 0.000 1.141 111 V CB -0.857 30.472 31.823 -0.823 0.000 0.743 111 V HN 0.275 nan 8.190 nan 0.000 0.492 112 S N 1.043 116.629 115.700 -0.190 0.000 2.406 112 S HA -0.013 4.474 4.470 0.029 0.000 0.228 112 S C 1.422 175.975 174.600 -0.078 0.000 1.020 112 S CA 0.949 59.087 58.200 -0.102 0.000 0.965 112 S CB -0.357 62.797 63.200 -0.077 0.000 0.798 112 S HN 0.994 nan 8.310 nan 0.000 0.488 113 S N 1.924 117.568 115.700 -0.092 0.000 2.580 113 S HA 0.130 4.617 4.470 0.029 0.000 0.266 113 S C -1.482 173.089 174.600 -0.048 0.000 1.354 113 S CA -0.993 57.168 58.200 -0.065 0.000 1.008 113 S CB -0.081 63.078 63.200 -0.070 0.000 0.898 113 S HN -0.013 nan 8.310 nan 0.000 0.555 114 P HA 0.012 nan 4.420 nan 0.000 0.203 114 P C 1.021 178.310 177.300 -0.018 0.000 1.002 114 P CA 1.671 64.758 63.100 -0.022 0.000 0.964 114 P CB -0.588 31.101 31.700 -0.018 0.000 0.727 115 G N -0.306 108.484 108.800 -0.017 0.000 4.084 115 G HA2 0.274 4.252 3.960 0.029 0.000 0.293 115 G HA3 0.274 4.252 3.960 0.029 0.000 0.293 115 G C -0.263 174.631 174.900 -0.010 0.000 1.303 115 G CA -0.232 44.862 45.100 -0.008 0.000 1.289 115 G HN 0.314 nan 8.290 nan 0.000 0.609 116 V N 2.144 122.045 119.914 -0.022 0.000 2.673 116 V HA 0.382 4.519 4.120 0.029 0.000 0.303 116 V C 1.019 177.119 176.094 0.009 0.000 1.046 116 V CA 0.593 62.870 62.300 -0.038 0.000 1.126 116 V CB 0.853 32.616 31.823 -0.099 0.000 0.934 116 V HN 0.556 nan 8.190 nan 0.000 0.487 117 T N 3.518 118.078 114.554 0.010 0.000 2.912 117 T HA 0.401 4.768 4.350 0.029 0.000 0.280 117 T C 1.060 175.821 174.700 0.102 0.000 0.989 117 T CA -0.073 62.062 62.100 0.059 0.000 0.995 117 T CB 1.544 70.439 68.868 0.046 0.000 1.077 117 T HN 0.386 nan 8.240 nan 0.000 0.531 118 V N 1.835 121.852 119.914 0.172 0.000 2.261 118 V HA -0.042 4.095 4.120 0.029 0.000 0.246 118 V C -0.543 175.669 176.094 0.197 0.000 1.047 118 V CA 1.574 64.034 62.300 0.267 0.000 1.015 118 V CB -1.807 30.204 31.823 0.313 0.000 0.642 118 V HN 0.742 nan 8.190 nan 0.000 0.446 119 P HA -0.161 nan 4.420 nan 0.000 0.215 119 P C 1.585 178.922 177.300 0.063 0.000 1.153 119 P CA 1.485 64.647 63.100 0.103 0.000 0.853 119 P CB -0.013 31.730 31.700 0.072 0.000 0.788 120 E N -0.556 119.658 120.200 0.024 0.000 2.072 120 E HA -0.116 4.251 4.350 0.029 0.000 0.191 120 E C 2.118 178.677 176.600 -0.068 0.000 0.985 120 E CA 1.115 57.499 56.400 -0.027 0.000 0.801 120 E CB -0.547 29.123 29.700 -0.051 0.000 0.750 120 E HN 0.144 nan 8.360 nan 0.000 0.452 121 A N 1.000 123.753 122.820 -0.112 0.000 1.858 121 A HA -0.153 4.184 4.320 0.029 0.000 0.216 121 A C 2.522 180.116 177.584 0.017 0.000 1.190 121 A CA 1.210 53.081 52.037 -0.278 0.000 0.617 121 A CB -0.851 17.784 19.000 -0.609 0.000 0.827 121 A HN 0.125 nan 8.150 nan 0.000 0.443 122 V N 0.069 120.078 119.914 0.159 0.000 2.332 122 V HA -0.245 3.892 4.120 0.029 0.000 0.248 122 V C 2.593 178.804 176.094 0.195 0.000 1.055 122 V CA 2.485 64.945 62.300 0.266 0.000 1.038 122 V CB -0.692 31.292 31.823 0.268 0.000 0.651 122 V HN 0.609 nan 8.190 nan 0.000 0.450 123 E N -0.087 120.186 120.200 0.121 0.000 2.338 123 E HA -0.147 4.220 4.350 0.029 0.000 0.197 123 E C 1.792 178.445 176.600 0.088 0.000 1.007 123 E CA 0.778 57.230 56.400 0.087 0.000 0.849 123 E CB -0.100 29.615 29.700 0.026 0.000 0.774 123 E HN 0.368 nan 8.360 nan 0.000 0.506 124 K N -0.427 120.048 120.400 0.124 0.000 2.417 124 K HA 0.257 4.594 4.320 0.029 0.000 0.196 124 K C -0.163 176.717 176.600 0.467 0.000 1.023 124 K CA -0.056 56.347 56.287 0.193 0.000 1.122 124 K CB 0.215 32.770 32.500 0.090 0.000 0.850 124 K HN 0.107 nan 8.250 nan 0.000 0.521 125 I N 1.861 122.669 120.570 0.397 0.000 2.421 125 I HA -0.016 4.171 4.170 0.029 0.000 0.291 125 I C 0.188 176.514 176.117 0.349 0.000 1.089 125 I CA -0.312 61.166 61.300 0.297 0.000 1.354 125 I CB 0.394 38.483 38.000 0.149 0.000 1.413 125 I HN 0.049 nan 8.210 nan 0.000 0.513 126 D N 7.210 127.814 120.400 0.340 0.000 2.343 126 D HA 0.107 4.764 4.640 0.029 0.000 0.255 126 D C 0.589 176.891 176.300 0.004 0.000 1.187 126 D CA 0.017 53.995 54.000 -0.036 0.000 0.875 126 D CB 1.276 41.976 40.800 -0.167 0.000 1.136 126 D HN 0.323 nan 8.370 nan 0.000 0.469 127 I N 2.976 123.503 120.570 -0.070 0.000 3.196 127 I HA 0.044 4.231 4.170 0.029 0.000 0.248 127 I C 2.363 178.448 176.117 -0.054 0.000 1.105 127 I CA 0.403 61.688 61.300 -0.026 0.000 1.482 127 I CB -1.413 36.587 38.000 -0.000 0.000 1.400 127 I HN 0.501 nan 8.210 nan 0.000 0.464 128 G N 1.144 109.899 108.800 -0.075 0.000 2.446 128 G HA2 -0.210 3.767 3.960 0.029 0.000 0.217 128 G HA3 -0.210 3.767 3.960 0.029 0.000 0.217 128 G C 1.669 176.539 174.900 -0.049 0.000 1.168 128 G CA 1.057 46.136 45.100 -0.036 0.000 0.771 128 G HN 0.482 nan 8.290 nan 0.000 0.551 129 G N 0.271 108.986 108.800 -0.142 0.000 2.418 129 G HA2 -0.139 3.839 3.960 0.029 0.000 0.217 129 G HA3 -0.139 3.839 3.960 0.029 0.000 0.217 129 G C 1.792 176.627 174.900 -0.108 0.000 1.158 129 G CA 1.211 46.227 45.100 -0.140 0.000 0.771 129 G HN 0.336 nan 8.290 nan 0.000 0.545 130 V N 1.602 121.448 119.914 -0.114 0.000 2.295 130 V HA -0.163 3.974 4.120 0.029 0.000 0.246 130 V C 3.342 179.431 176.094 -0.009 0.000 1.049 130 V CA 2.057 64.313 62.300 -0.073 0.000 1.024 130 V CB -0.928 30.875 31.823 -0.033 0.000 0.648 130 V HN 0.484 nan 8.190 nan 0.000 0.447 131 A N 0.020 122.857 122.820 0.027 0.000 1.883 131 A HA -0.192 4.145 4.320 0.029 0.000 0.217 131 A C 2.203 179.879 177.584 0.153 0.000 1.186 131 A CA 2.053 54.155 52.037 0.108 0.000 0.624 131 A CB -0.589 18.493 19.000 0.137 0.000 0.822 131 A HN 0.524 nan 8.150 nan 0.000 0.444 132 L N -0.703 120.562 121.223 0.069 0.000 1.989 132 L HA -0.225 4.132 4.340 0.029 0.000 0.211 132 L C 2.633 179.469 176.870 -0.057 0.000 1.071 132 L CA 1.427 56.241 54.840 -0.044 0.000 0.749 132 L CB -0.811 41.190 42.059 -0.097 0.000 0.890 132 L HN 0.359 nan 8.230 nan 0.000 0.431 133 L N -0.540 120.641 121.223 -0.070 0.000 2.012 133 L HA -0.222 4.135 4.340 0.029 0.000 0.210 133 L C 2.946 179.698 176.870 -0.197 0.000 1.073 133 L CA 1.455 56.224 54.840 -0.119 0.000 0.748 133 L CB -0.537 41.461 42.059 -0.102 0.000 0.891 133 L HN 0.230 nan 8.230 nan 0.000 0.431 134 R N -0.187 120.233 120.500 -0.134 0.000 2.075 134 R HA -0.111 4.247 4.340 0.029 0.000 0.232 134 R C 2.461 178.740 176.300 -0.035 0.000 1.126 134 R CA 1.256 57.271 56.100 -0.142 0.000 0.963 134 R CB -0.546 29.826 30.300 0.121 0.000 0.858 134 R HN 0.354 nan 8.270 nan 0.000 0.435 135 A N 1.580 124.427 122.820 0.046 0.000 1.865 135 A HA -0.154 4.183 4.320 0.029 0.000 0.217 135 A C 2.432 180.035 177.584 0.032 0.000 1.191 135 A CA 1.829 53.919 52.037 0.090 0.000 0.623 135 A CB -0.811 18.285 19.000 0.159 0.000 0.826 135 A HN 0.401 nan 8.150 nan 0.000 0.444 136 A N -0.197 122.604 122.820 -0.030 0.000 1.883 136 A HA 0.112 4.449 4.320 0.029 0.000 0.217 136 A C 2.539 180.105 177.584 -0.029 0.000 1.186 136 A CA 2.393 54.407 52.037 -0.038 0.000 0.624 136 A CB -1.134 17.827 19.000 -0.064 0.000 0.822 136 A HN 1.153 nan 8.150 nan 0.000 0.444 137 A N -0.205 122.522 122.820 -0.154 0.000 1.933 137 A HA -0.182 4.155 4.320 0.029 0.000 0.218 137 A C 2.126 179.812 177.584 0.170 0.000 1.175 137 A CA 2.096 54.016 52.037 -0.195 0.000 0.628 137 A CB -0.487 18.008 19.000 -0.842 0.000 0.814 137 A HN 0.613 nan 8.150 nan 0.000 0.444 138 K N -0.424 120.106 120.400 0.217 0.000 2.032 138 K HA -0.198 4.140 4.320 0.029 0.000 0.209 138 K C 1.074 177.826 176.600 0.253 0.000 1.048 138 K CA 1.760 58.281 56.287 0.389 0.000 0.927 138 K CB -0.203 32.478 32.500 0.302 0.000 0.712 138 K HN 0.374 nan 8.250 nan 0.000 0.441 139 N N 1.055 119.837 118.700 0.136 0.000 2.389 139 N HA -0.045 4.712 4.740 0.029 0.000 0.237 139 N C 0.766 176.275 175.510 -0.001 0.000 1.148 139 N CA -0.044 53.027 53.050 0.034 0.000 0.854 139 N CB -0.122 38.382 38.487 0.028 0.000 1.115 139 N HN 0.383 nan 8.380 nan 0.000 0.492 140 H N -1.702 117.390 119.070 0.036 0.000 2.518 140 H HA -0.006 4.560 4.556 0.016 0.000 0.289 140 H C 1.382 176.718 175.328 0.013 0.000 1.051 140 H CA 1.072 57.129 56.048 0.016 0.000 1.280 140 H CB -0.247 29.530 29.762 0.025 0.000 1.380 140 H HN 0.219 nan 8.280 nan 0.000 0.566 141 A N 1.460 124.041 122.820 -0.398 0.000 2.024 141 A HA -0.173 4.165 4.320 0.029 0.000 0.220 141 A C 2.544 180.077 177.584 -0.084 0.000 1.164 141 A CA 1.829 53.727 52.037 -0.230 0.000 0.643 141 A CB -0.500 18.370 19.000 -0.216 0.000 0.806 141 A HN 0.521 nan 8.150 nan 0.000 0.451 142 R N -2.077 118.389 120.500 -0.058 0.000 2.492 142 R HA 0.248 4.605 4.340 0.029 0.000 0.219 142 R C -0.799 175.495 176.300 -0.010 0.000 0.886 142 R CA 0.322 56.407 56.100 -0.026 0.000 1.003 142 R CB 0.755 31.041 30.300 -0.023 0.000 1.345 142 R HN 0.195 nan 8.270 nan 0.000 0.631 143 V N 1.754 121.667 119.914 -0.001 0.000 2.472 143 V HA 0.343 4.480 4.120 0.029 0.000 0.290 143 V C -0.238 175.865 176.094 0.016 0.000 1.037 143 V CA -0.525 61.776 62.300 0.002 0.000 0.908 143 V CB 1.713 33.534 31.823 -0.003 0.000 0.985 143 V HN 0.094 nan 8.190 nan 0.000 0.454 144 T N 4.180 118.736 114.554 0.004 0.000 2.744 144 T HA 0.404 4.771 4.350 0.029 0.000 0.291 144 T C -0.428 174.277 174.700 0.007 0.000 0.957 144 T CA -0.043 62.063 62.100 0.009 0.000 1.002 144 T CB 1.250 70.129 68.868 0.017 0.000 0.919 144 T HN 0.500 nan 8.240 nan 0.000 0.468 145 V N 5.720 125.633 119.914 -0.001 0.000 2.417 145 V HA 0.688 4.825 4.120 0.029 0.000 0.291 145 V C -0.930 175.172 176.094 0.013 0.000 1.024 145 V CA -0.468 61.824 62.300 -0.014 0.000 0.861 145 V CB 1.345 33.129 31.823 -0.065 0.000 0.985 145 V HN 0.671 nan 8.190 nan 0.000 0.436 146 V N 6.840 126.786 119.914 0.054 0.000 2.443 146 V HA 0.290 4.427 4.120 0.029 0.000 0.293 146 V C 0.609 176.746 176.094 0.072 0.000 1.021 146 V CA -0.214 62.148 62.300 0.103 0.000 0.848 146 V CB 1.022 33.004 31.823 0.265 0.000 0.998 146 V HN 1.093 nan 8.190 nan 0.000 0.424 147 C N -0.107 119.173 119.300 -0.033 0.000 3.336 147 C HA 0.409 4.886 4.460 0.029 0.000 0.291 147 C C 0.323 175.195 174.990 -0.197 0.000 1.363 147 C CA -0.147 58.790 59.018 -0.134 0.000 1.737 147 C CB -0.539 27.033 27.740 -0.279 0.000 2.274 147 C HN 0.742 nan 8.230 nan 0.000 0.663 148 D N 1.365 121.667 120.400 -0.163 0.000 2.471 148 D HA 0.377 5.034 4.640 0.029 0.000 0.245 148 D C -1.982 174.043 176.300 -0.459 0.000 1.116 148 D CA -1.738 52.112 54.000 -0.249 0.000 0.853 148 D CB 2.214 42.889 40.800 -0.207 0.000 1.123 148 D HN -0.129 nan 8.370 nan 0.000 0.540 149 P HA -0.130 nan 4.420 nan 0.000 0.218 149 P C 0.893 177.576 177.300 -1.027 0.000 1.146 149 P CA 1.087 63.312 63.100 -1.457 0.000 0.820 149 P CB 0.315 31.581 31.700 -0.724 0.000 0.778 150 A N -0.772 121.737 122.820 -0.517 0.000 2.119 150 A HA -0.151 4.187 4.320 0.029 0.000 0.217 150 A C 1.834 179.259 177.584 -0.265 0.000 1.153 150 A CA 1.434 53.281 52.037 -0.318 0.000 0.692 150 A CB -0.838 18.042 19.000 -0.200 0.000 0.799 150 A HN 0.099 nan 8.150 nan 0.000 0.458 151 D N -1.441 118.783 120.400 -0.293 0.000 2.305 151 D HA -0.042 4.615 4.640 0.029 0.000 0.206 151 D C 1.251 177.452 176.300 -0.164 0.000 0.974 151 D CA 0.430 54.336 54.000 -0.156 0.000 0.871 151 D CB -0.197 40.559 40.800 -0.074 0.000 0.947 151 D HN 0.428 nan 8.370 nan 0.000 0.516 152 Y N 1.802 121.787 120.300 -0.523 0.000 2.002 152 Y HA -0.281 4.286 4.550 0.027 0.000 0.268 152 Y C 2.833 178.400 175.900 -0.555 0.000 1.177 152 Y CA 0.718 58.188 58.100 -1.049 0.000 1.111 152 Y CB -1.515 36.334 38.460 -1.019 0.000 0.952 152 Y HN -0.032 nan 8.280 nan 0.000 0.491 153 S N -0.186 115.456 115.700 -0.097 0.000 2.365 153 S HA -0.230 4.257 4.470 0.029 0.000 0.225 153 S C 2.399 176.999 174.600 -0.001 0.000 1.039 153 S CA 2.369 60.558 58.200 -0.018 0.000 1.033 153 S CB -0.719 62.472 63.200 -0.014 0.000 0.887 153 S HN 0.656 nan 8.310 nan 0.000 0.447 154 S N 0.516 116.207 115.700 -0.016 0.000 2.368 154 S HA -0.043 4.444 4.470 0.029 0.000 0.224 154 S C 1.878 176.501 174.600 0.039 0.000 1.029 154 S CA 1.321 59.530 58.200 0.015 0.000 0.988 154 S CB -0.939 62.271 63.200 0.017 0.000 0.838 154 S HN 0.371 nan 8.310 nan 0.000 0.462 155 V N 2.724 122.658 119.914 0.034 0.000 2.270 155 V HA -0.087 4.050 4.120 0.029 0.000 0.245 155 V C 3.204 179.393 176.094 0.159 0.000 1.043 155 V CA 1.667 64.024 62.300 0.095 0.000 1.014 155 V CB -1.568 30.334 31.823 0.132 0.000 0.645 155 V HN 0.669 nan 8.190 nan 0.000 0.447 156 A N -0.414 122.540 122.820 0.225 0.000 1.873 156 A HA -0.287 4.050 4.320 0.029 0.000 0.218 156 A C 2.314 179.970 177.584 0.120 0.000 1.193 156 A CA 2.236 54.420 52.037 0.246 0.000 0.629 156 A CB -0.557 18.621 19.000 0.297 0.000 0.826 156 A HN 0.495 nan 8.150 nan 0.000 0.447 157 K N -0.859 119.593 120.400 0.086 0.000 2.032 157 K HA -0.218 4.119 4.320 0.029 0.000 0.209 157 K C 2.180 178.809 176.600 0.048 0.000 1.048 157 K CA 1.683 58.004 56.287 0.056 0.000 0.927 157 K CB -0.199 32.326 32.500 0.042 0.000 0.712 157 K HN 0.741 nan 8.250 nan 0.000 0.441 158 E N 0.655 120.886 120.200 0.052 0.000 2.077 158 E HA -0.183 4.184 4.350 0.029 0.000 0.193 158 E C 1.971 178.593 176.600 0.037 0.000 0.989 158 E CA 1.132 57.557 56.400 0.042 0.000 0.800 158 E CB 0.050 29.776 29.700 0.043 0.000 0.746 158 E HN 0.258 nan 8.360 nan 0.000 0.452 159 M N -0.007 119.620 119.600 0.046 0.000 2.254 159 M HA -0.036 4.461 4.480 0.029 0.000 0.265 159 M C 2.399 178.712 176.300 0.022 0.000 1.066 159 M CA 1.191 56.511 55.300 0.032 0.000 1.123 159 M CB 0.018 32.638 32.600 0.035 0.000 1.388 159 M HN 0.167 nan 8.290 nan 0.000 0.425 160 A N 0.415 123.251 122.820 0.028 0.000 1.930 160 A HA 0.078 4.415 4.320 0.029 0.000 0.217 160 A C 2.260 179.853 177.584 0.016 0.000 1.175 160 A CA 1.717 53.766 52.037 0.020 0.000 0.627 160 A CB -0.636 18.379 19.000 0.025 0.000 0.815 160 A HN 0.476 nan 8.150 nan 0.000 0.443 161 A N -0.032 122.800 122.820 0.019 0.000 2.218 161 A HA 0.338 4.675 4.320 0.029 0.000 0.209 161 A C 1.476 179.068 177.584 0.014 0.000 1.168 161 A CA 0.763 52.810 52.037 0.016 0.000 0.804 161 A CB -0.638 18.373 19.000 0.018 0.000 0.834 161 A HN 0.762 nan 8.150 nan 0.000 0.482 162 S N -0.164 115.544 115.700 0.014 0.000 2.585 162 S HA 0.192 4.679 4.470 0.029 0.000 0.273 162 S C 0.663 175.267 174.600 0.007 0.000 1.339 162 S CA -0.195 58.011 58.200 0.011 0.000 1.028 162 S CB 0.734 63.940 63.200 0.011 0.000 0.906 162 S HN 0.385 nan 8.310 nan 0.000 0.528 163 K N 0.703 121.107 120.400 0.007 0.000 2.439 163 K HA -0.017 4.320 4.320 0.029 0.000 0.197 163 K C 0.073 176.674 176.600 0.002 0.000 1.041 163 K CA 1.140 57.430 56.287 0.005 0.000 0.970 163 K CB -0.255 32.248 32.500 0.005 0.000 0.773 163 K HN 0.844 nan 8.250 nan 0.000 0.479 164 D N -0.359 120.042 120.400 0.002 0.000 2.556 164 D HA 0.068 4.725 4.640 0.029 0.000 0.237 164 D C -0.360 175.939 176.300 -0.003 0.000 1.296 164 D CA -0.385 53.614 54.000 -0.001 0.000 0.807 164 D CB 0.180 40.979 40.800 -0.001 0.000 1.084 164 D HN -0.099 nan 8.370 nan 0.000 0.510 165 K N -0.287 120.112 120.400 -0.001 0.000 3.129 165 K HA -0.186 4.152 4.320 0.029 0.000 0.273 165 K C -0.743 175.855 176.600 -0.004 0.000 1.123 165 K CA 1.078 57.363 56.287 -0.004 0.000 0.800 165 K CB -1.171 31.323 32.500 -0.010 0.000 1.238 165 K HN 0.321 nan 8.250 nan 0.000 0.492 166 D N -0.352 120.048 120.400 0.000 0.000 2.547 166 D HA 0.286 4.943 4.640 0.029 0.000 0.231 166 D C -0.136 176.168 176.300 0.006 0.000 1.099 166 D CA -0.120 53.880 54.000 0.000 0.000 0.901 166 D CB 1.371 42.170 40.800 -0.003 0.000 1.478 166 D HN 0.102 nan 8.370 nan 0.000 0.471 167 T N -0.921 113.637 114.554 0.007 0.000 2.766 167 T HA 0.457 4.824 4.350 0.029 0.000 0.295 167 T C 0.731 175.431 174.700 0.001 0.000 1.024 167 T CA -0.675 61.428 62.100 0.005 0.000 1.018 167 T CB 0.533 69.400 68.868 -0.002 0.000 1.002 167 T HN 0.346 nan 8.240 nan 0.000 0.532 168 S N 0.123 115.822 115.700 -0.002 0.000 2.645 168 S HA 0.245 4.733 4.470 0.029 0.000 0.266 168 S C 1.728 176.327 174.600 -0.001 0.000 1.258 168 S CA -0.402 57.799 58.200 0.002 0.000 0.990 168 S CB 0.904 64.109 63.200 0.008 0.000 0.967 168 S HN 1.301 nan 8.310 nan 0.000 0.556 169 V N -0.598 119.323 119.914 0.011 0.000 2.427 169 V HA -0.067 4.070 4.120 0.029 0.000 0.248 169 V C 2.067 178.179 176.094 0.030 0.000 1.051 169 V CA 1.953 64.269 62.300 0.027 0.000 1.048 169 V CB -1.520 30.322 31.823 0.031 0.000 0.666 169 V HN 0.837 nan 8.190 nan 0.000 0.456 170 E N 1.183 121.396 120.200 0.021 0.000 2.049 170 E HA -0.155 4.212 4.350 0.029 0.000 0.198 170 E C 2.364 178.938 176.600 -0.043 0.000 1.007 170 E CA 2.421 58.835 56.400 0.024 0.000 0.809 170 E CB -1.116 28.609 29.700 0.041 0.000 0.749 170 E HN 0.672 nan 8.360 nan 0.000 0.450 171 T N 0.445 114.940 114.554 -0.099 0.000 2.665 171 T HA -0.190 4.178 4.350 0.029 0.000 0.268 171 T C 1.785 176.249 174.700 -0.393 0.000 1.035 171 T CA 1.527 63.435 62.100 -0.320 0.000 1.151 171 T CB -0.196 68.577 68.868 -0.158 0.000 0.862 171 T HN 0.117 nan 8.240 nan 0.000 0.438 172 R N 0.439 120.853 120.500 -0.144 0.000 2.096 172 R HA 0.002 4.359 4.340 0.029 0.000 0.235 172 R C 2.745 179.021 176.300 -0.041 0.000 1.127 172 R CA 1.093 57.159 56.100 -0.056 0.000 0.968 172 R CB -0.172 30.159 30.300 0.051 0.000 0.861 172 R HN 0.397 nan 8.270 nan 0.000 0.440 173 R N -0.176 120.316 120.500 -0.013 0.000 2.070 173 R HA -0.173 4.184 4.340 0.029 0.000 0.233 173 R C 2.328 178.587 176.300 -0.068 0.000 1.137 173 R CA 1.998 58.062 56.100 -0.060 0.000 0.945 173 R CB -0.638 29.683 30.300 0.034 0.000 0.845 173 R HN 0.488 nan 8.270 nan 0.000 0.430 174 H N 0.257 119.317 119.070 -0.017 0.000 2.457 174 H HA 0.012 4.583 4.556 0.025 0.000 0.294 174 H C 1.733 177.047 175.328 -0.024 0.000 1.064 174 H CA 1.000 57.038 56.048 -0.017 0.000 1.330 174 H CB -0.255 29.505 29.762 -0.003 0.000 1.395 174 H HN 0.049 nan 8.280 nan 0.000 0.541 175 L N 0.411 121.600 121.223 -0.057 0.000 2.109 175 L HA 0.061 4.419 4.340 0.029 0.000 0.207 175 L C 2.690 179.544 176.870 -0.027 0.000 1.086 175 L CA 1.424 56.266 54.840 0.003 0.000 0.760 175 L CB -1.543 40.472 42.059 -0.072 0.000 0.910 175 L HN 0.578 nan 8.230 nan 0.000 0.437 176 A N 0.089 122.861 122.820 -0.080 0.000 1.877 176 A HA -0.225 4.112 4.320 0.029 0.000 0.216 176 A C 2.259 179.834 177.584 -0.015 0.000 1.186 176 A CA 1.519 53.481 52.037 -0.124 0.000 0.620 176 A CB -0.739 18.095 19.000 -0.277 0.000 0.822 176 A HN 0.326 nan 8.150 nan 0.000 0.443 177 L N 0.299 121.537 121.223 0.025 0.000 2.013 177 L HA -0.207 4.150 4.340 0.029 0.000 0.212 177 L C 2.328 179.265 176.870 0.111 0.000 1.073 177 L CA 2.943 57.843 54.840 0.101 0.000 0.753 177 L CB -0.728 41.375 42.059 0.073 0.000 0.890 177 L HN 0.479 nan 8.230 nan 0.000 0.432 178 K N -0.450 119.996 120.400 0.077 0.000 2.063 178 K HA -0.134 4.203 4.320 0.029 0.000 0.208 178 K C 1.953 178.587 176.600 0.056 0.000 1.048 178 K CA 1.652 57.977 56.287 0.063 0.000 0.928 178 K CB -0.426 32.104 32.500 0.050 0.000 0.713 178 K HN 0.435 nan 8.250 nan 0.000 0.442 179 A N -0.085 122.730 122.820 -0.009 0.000 1.898 179 A HA -0.042 4.295 4.320 0.029 0.000 0.216 179 A C 1.942 179.520 177.584 -0.010 0.000 1.181 179 A CA 1.163 53.162 52.037 -0.063 0.000 0.620 179 A CB -0.731 18.147 19.000 -0.202 0.000 0.819 179 A HN 0.371 nan 8.150 nan 0.000 0.442 180 F N 0.781 120.764 119.950 0.055 0.000 2.234 180 F HA -0.078 4.464 4.527 0.026 0.000 0.299 180 F C 2.698 178.533 175.800 0.058 0.000 1.087 180 F CA 1.620 59.649 58.000 0.049 0.000 1.340 180 F CB -0.990 38.026 39.000 0.026 0.000 1.031 180 F HN 0.144 nan 8.300 nan 0.000 0.500 181 T N -1.902 112.798 114.554 0.243 0.000 2.746 181 T HA -0.265 4.102 4.350 0.029 0.000 0.267 181 T C 1.782 176.582 174.700 0.166 0.000 1.039 181 T CA 1.912 64.113 62.100 0.168 0.000 1.142 181 T CB -0.528 68.418 68.868 0.130 0.000 0.866 181 T HN 0.336 nan 8.240 nan 0.000 0.444 182 H N 1.260 120.371 119.070 0.068 0.000 2.353 182 H HA -0.080 4.493 4.556 0.027 0.000 0.300 182 H C 2.388 177.759 175.328 0.072 0.000 1.090 182 H CA 2.139 58.215 56.048 0.048 0.000 1.327 182 H CB -0.346 29.413 29.762 -0.005 0.000 1.383 182 H HN 0.428 nan 8.280 nan 0.000 0.508 183 T N -2.606 111.970 114.554 0.036 0.000 2.985 183 T HA 0.101 4.468 4.350 0.029 0.000 0.266 183 T C 2.208 176.957 174.700 0.082 0.000 1.076 183 T CA 0.686 62.793 62.100 0.011 0.000 1.135 183 T CB -0.550 68.361 68.868 0.072 0.000 0.890 183 T HN 0.401 nan 8.240 nan 0.000 0.480 184 A N 1.824 124.706 122.820 0.104 0.000 1.877 184 A HA -0.111 4.226 4.320 0.029 0.000 0.216 184 A C 2.474 180.089 177.584 0.051 0.000 1.186 184 A CA 1.607 53.694 52.037 0.083 0.000 0.620 184 A CB -0.864 18.190 19.000 0.089 0.000 0.822 184 A HN 0.597 nan 8.150 nan 0.000 0.443 185 Q N -2.204 117.622 119.800 0.044 0.000 2.124 185 Q HA -0.185 4.172 4.340 0.029 0.000 0.202 185 Q C 1.993 178.002 176.000 0.015 0.000 0.977 185 Q CA 1.681 57.503 55.803 0.030 0.000 0.850 185 Q CB -0.313 28.450 28.738 0.042 0.000 0.901 185 Q HN 0.796 nan 8.270 nan 0.000 0.429 186 Y N 1.751 121.946 120.300 -0.176 0.000 2.145 186 Y HA -0.251 4.316 4.550 0.028 0.000 0.286 186 Y C 1.559 177.343 175.900 -0.192 0.000 1.145 186 Y CA 1.824 59.801 58.100 -0.206 0.000 1.148 186 Y CB -0.017 38.270 38.460 -0.289 0.000 0.981 186 Y HN 0.106 nan 8.280 nan 0.000 0.507 187 D N -0.589 119.769 120.400 -0.070 0.000 2.224 187 D HA -0.047 4.610 4.640 0.029 0.000 0.205 187 D C 2.178 178.402 176.300 -0.128 0.000 0.965 187 D CA 1.094 55.010 54.000 -0.140 0.000 0.852 187 D CB -0.431 40.353 40.800 -0.028 0.000 0.947 187 D HN 0.426 nan 8.370 nan 0.000 0.494 188 A N 0.810 123.586 122.820 -0.072 0.000 1.930 188 A HA 0.010 4.347 4.320 0.029 0.000 0.217 188 A C 2.256 179.786 177.584 -0.090 0.000 1.175 188 A CA 1.808 53.812 52.037 -0.054 0.000 0.627 188 A CB -0.543 18.453 19.000 -0.006 0.000 0.815 188 A HN 0.220 nan 8.150 nan 0.000 0.443 189 A N -0.037 122.715 122.820 -0.112 0.000 1.930 189 A HA -0.015 4.322 4.320 0.029 0.000 0.217 189 A C 2.087 179.613 177.584 -0.096 0.000 1.175 189 A CA 1.382 53.381 52.037 -0.063 0.000 0.627 189 A CB -0.538 18.465 19.000 0.006 0.000 0.815 189 A HN 0.486 nan 8.150 nan 0.000 0.443 190 I N -0.418 119.902 120.570 -0.416 0.000 2.202 190 I HA -0.221 3.967 4.170 0.029 0.000 0.242 190 I C 2.719 178.735 176.117 -0.168 0.000 1.091 190 I CA 1.356 62.313 61.300 -0.573 0.000 1.368 190 I CB -0.394 37.138 38.000 -0.781 0.000 1.058 190 I HN 0.216 nan 8.210 nan 0.000 0.410 191 S N 0.400 116.050 115.700 -0.083 0.000 2.359 191 S HA -0.285 4.202 4.470 0.029 0.000 0.223 191 S C 1.744 176.310 174.600 -0.056 0.000 1.039 191 S CA 2.054 60.252 58.200 -0.003 0.000 1.042 191 S CB -0.413 62.764 63.200 -0.038 0.000 0.915 191 S HN 0.481 nan 8.310 nan 0.000 0.439 192 D N -0.213 120.113 120.400 -0.123 0.000 2.117 192 D HA -0.138 4.519 4.640 0.029 0.000 0.197 192 D C 1.724 177.949 176.300 -0.125 0.000 0.987 192 D CA 1.052 54.938 54.000 -0.189 0.000 0.829 192 D CB -0.272 40.419 40.800 -0.183 0.000 0.961 192 D HN 0.521 nan 8.370 nan 0.000 0.460 193 Y N -0.243 119.932 120.300 -0.209 0.000 2.145 193 Y HA -0.183 4.384 4.550 0.028 0.000 0.286 193 Y C 1.837 177.538 175.900 -0.332 0.000 1.145 193 Y CA 1.656 59.588 58.100 -0.280 0.000 1.148 193 Y CB -0.507 37.768 38.460 -0.307 0.000 0.981 193 Y HN -0.102 nan 8.280 nan 0.000 0.507 194 F N 0.216 120.084 119.950 -0.137 0.000 2.293 194 F HA -0.025 4.519 4.527 0.028 0.000 0.300 194 F C 2.621 178.236 175.800 -0.309 0.000 1.086 194 F CA 1.345 59.113 58.000 -0.388 0.000 1.375 194 F CB -0.803 38.108 39.000 -0.148 0.000 1.045 194 F HN -0.028 nan 8.300 nan 0.000 0.516 195 R N 0.599 121.078 120.500 -0.036 0.000 2.073 195 R HA -0.147 4.210 4.340 0.029 0.000 0.234 195 R C 2.136 178.379 176.300 -0.094 0.000 1.134 195 R CA 1.534 57.608 56.100 -0.043 0.000 0.952 195 R CB -0.121 30.119 30.300 -0.100 0.000 0.850 195 R HN 0.128 nan 8.270 nan 0.000 0.433 196 K N -0.233 120.058 120.400 -0.182 0.000 2.148 196 K HA -0.099 4.238 4.320 0.029 0.000 0.204 196 K C 1.964 178.431 176.600 -0.223 0.000 1.050 196 K CA 1.105 57.281 56.287 -0.184 0.000 0.942 196 K CB 0.157 32.537 32.500 -0.200 0.000 0.724 196 K HN 0.144 nan 8.250 nan 0.000 0.446 197 E N -0.590 119.380 120.200 -0.382 0.000 2.086 197 E HA -0.080 4.287 4.350 0.029 0.000 0.190 197 E C 1.357 177.927 176.600 -0.049 0.000 0.975 197 E CA 1.212 57.383 56.400 -0.380 0.000 0.813 197 E CB 0.183 29.408 29.700 -0.792 0.000 0.768 197 E HN 0.348 nan 8.360 nan 0.000 0.457 198 Y N -0.915 119.365 120.300 -0.033 0.000 2.444 198 Y HA 0.272 4.839 4.550 0.029 0.000 0.252 198 Y C 1.769 177.659 175.900 -0.016 0.000 1.091 198 Y CA -0.323 57.771 58.100 -0.010 0.000 1.276 198 Y CB 0.425 38.892 38.460 0.013 0.000 1.170 198 Y HN -0.163 nan 8.280 nan 0.000 0.517 199 S N 0.143 115.920 115.700 0.128 0.000 2.601 199 S HA 0.125 4.612 4.470 0.029 0.000 0.244 199 S C 0.376 174.995 174.600 0.031 0.000 1.001 199 S CA -0.445 57.799 58.200 0.073 0.000 0.984 199 S CB -0.288 62.954 63.200 0.070 0.000 0.842 199 S HN 0.157 nan 8.310 nan 0.000 0.474 200 K N 0.994 121.406 120.400 0.019 0.000 2.453 200 K HA 0.223 4.560 4.320 0.029 0.000 0.280 200 K C 1.106 177.704 176.600 -0.002 0.000 1.045 200 K CA 1.185 57.473 56.287 0.001 0.000 1.059 200 K CB -0.228 32.268 32.500 -0.007 0.000 0.901 200 K HN 0.347 nan 8.250 nan 0.000 0.475 201 G N 2.303 111.096 108.800 -0.011 0.000 2.184 201 G HA2 -0.258 3.720 3.960 0.029 0.000 0.264 201 G HA3 -0.258 3.720 3.960 0.029 0.000 0.264 201 G C 0.416 175.304 174.900 -0.020 0.000 0.975 201 G CA 0.355 45.442 45.100 -0.021 0.000 0.642 201 G HN 0.475 nan 8.290 nan 0.000 0.536 202 V N 0.399 120.308 119.914 -0.007 0.000 3.050 202 V HA 0.262 4.399 4.120 0.029 0.000 0.223 202 V C 2.324 178.416 176.094 -0.003 0.000 1.162 202 V CA 2.197 64.494 62.300 -0.005 0.000 1.247 202 V CB 0.263 32.090 31.823 0.008 0.000 1.125 202 V HN 0.909 nan 8.190 nan 0.000 0.508 203 S N -1.350 114.361 115.700 0.019 0.000 2.559 203 S HA 0.254 4.741 4.470 0.029 0.000 0.226 203 S C 0.460 175.098 174.600 0.064 0.000 1.000 203 S CA -0.143 58.078 58.200 0.036 0.000 0.948 203 S CB 0.419 63.654 63.200 0.059 0.000 0.870 203 S HN 0.448 nan 8.310 nan 0.000 0.497 204 Q N 0.575 120.400 119.800 0.042 0.000 2.389 204 Q HA 0.634 4.991 4.340 0.029 0.000 0.277 204 Q C -2.347 173.664 176.000 0.019 0.000 1.082 204 Q CA -0.769 55.069 55.803 0.059 0.000 0.810 204 Q CB 2.340 31.097 28.738 0.031 0.000 1.374 204 Q HN 0.402 nan 8.270 nan 0.000 0.422 205 L N 4.665 125.900 121.223 0.021 0.000 2.491 205 L HA 0.511 4.868 4.340 0.029 0.000 0.267 205 L C -2.656 174.212 176.870 -0.003 0.000 0.971 205 L CA -1.374 53.459 54.840 -0.011 0.000 0.857 205 L CB 2.130 44.163 42.059 -0.043 0.000 1.226 205 L HN 0.414 nan 8.230 nan 0.000 0.408 206 P HA 0.209 nan 4.420 nan 0.000 0.267 206 P C -0.901 176.391 177.300 -0.015 0.000 1.205 206 P CA 0.197 63.296 63.100 -0.002 0.000 0.765 206 P CB 0.527 32.221 31.700 -0.010 0.000 0.828 207 L N 3.629 124.851 121.223 -0.001 0.000 2.344 207 L HA 0.401 4.758 4.340 0.029 0.000 0.272 207 L C 2.016 178.854 176.870 -0.053 0.000 1.035 207 L CA -0.848 53.974 54.840 -0.030 0.000 0.807 207 L CB 1.127 43.196 42.059 0.016 0.000 1.237 207 L HN 0.371 nan 8.230 nan 0.000 0.442 208 R N 1.315 121.723 120.500 -0.154 0.000 2.094 208 R HA -0.125 4.232 4.340 0.029 0.000 0.239 208 R C -0.483 175.766 176.300 -0.084 0.000 1.137 208 R CA 1.826 57.806 56.100 -0.200 0.000 0.943 208 R CB -0.243 29.795 30.300 -0.436 0.000 0.850 208 R HN 0.623 nan 8.270 nan 0.000 0.433 209 Y N -4.030 116.295 120.300 0.042 0.000 2.853 209 Y HA 0.596 5.163 4.550 0.028 0.000 0.326 209 Y C 0.326 176.238 175.900 0.020 0.000 1.384 209 Y CA -1.033 57.075 58.100 0.014 0.000 1.077 209 Y CB 0.074 38.530 38.460 -0.006 0.000 1.395 209 Y HN -0.045 nan 8.280 nan 0.000 0.451 210 G N 0.094 109.011 108.800 0.195 0.000 2.928 210 G HA2 0.250 4.227 3.960 0.029 0.000 0.163 210 G HA3 0.250 4.227 3.960 0.029 0.000 0.163 210 G C 0.512 175.369 174.900 -0.071 0.000 1.573 210 G CA -0.065 44.986 45.100 -0.082 0.000 1.084 210 G HN 0.694 nan 8.290 nan 0.000 0.569 211 M N 0.084 119.434 119.600 -0.417 0.000 2.202 211 M HA 0.039 4.536 4.480 0.029 0.000 0.262 211 M C 0.247 176.543 176.300 -0.006 0.000 1.063 211 M CA 1.061 56.246 55.300 -0.193 0.000 1.097 211 M CB -0.316 32.133 32.600 -0.251 0.000 1.382 211 M HN 0.335 nan 8.290 nan 0.000 0.413 212 N N -2.029 116.604 118.700 -0.112 0.000 2.416 212 N HA 0.276 5.034 4.740 0.029 0.000 0.276 212 N C -2.433 172.854 175.510 -0.372 0.000 1.261 212 N CA -1.217 51.739 53.050 -0.156 0.000 0.790 212 N CB 1.335 39.764 38.487 -0.096 0.000 1.554 212 N HN -0.268 nan 8.380 nan 0.000 0.481 213 P HA -0.153 nan 4.420 nan 0.000 0.218 213 P C 0.970 178.100 177.300 -0.284 0.000 1.146 213 P CA 1.426 63.997 63.100 -0.881 0.000 0.813 213 P CB -0.096 31.197 31.700 -0.678 0.000 0.778 214 H N -1.623 117.335 119.070 -0.188 0.000 2.551 214 H HA 0.138 4.712 4.556 0.029 0.000 0.266 214 H C 0.170 175.468 175.328 -0.050 0.000 0.977 214 H CA 0.242 56.235 56.048 -0.092 0.000 1.163 214 H CB -0.527 29.193 29.762 -0.071 0.000 1.381 214 H HN 0.208 nan 8.280 nan 0.000 0.581 215 Q N 2.240 121.788 119.800 -0.420 0.000 2.503 215 Q HA 0.299 4.657 4.340 0.029 0.000 0.227 215 Q C -0.476 175.470 176.000 -0.091 0.000 1.109 215 Q CA -0.506 55.127 55.803 -0.284 0.000 0.922 215 Q CB 1.183 29.688 28.738 -0.387 0.000 1.249 215 Q HN 0.471 nan 8.270 nan 0.000 0.530 216 S N 1.092 116.775 115.700 -0.028 0.000 2.595 216 S HA 0.801 5.288 4.470 0.029 0.000 0.281 216 S C -2.237 172.373 174.600 0.018 0.000 1.117 216 S CA -1.172 57.042 58.200 0.023 0.000 0.873 216 S CB 1.345 64.579 63.200 0.057 0.000 1.108 216 S HN 0.377 nan 8.310 nan 0.000 0.477 217 P HA 0.803 nan 4.420 nan 0.000 0.282 217 P C -1.040 176.294 177.300 0.056 0.000 1.287 217 P CA -0.619 62.507 63.100 0.044 0.000 0.792 217 P CB 0.803 32.524 31.700 0.035 0.000 1.163 218 A N -0.114 122.754 122.820 0.081 0.000 2.587 218 A HA 0.657 4.995 4.320 0.029 0.000 0.293 218 A C -1.308 176.351 177.584 0.125 0.000 1.087 218 A CA -0.531 51.585 52.037 0.131 0.000 0.692 218 A CB 1.855 20.961 19.000 0.176 0.000 1.291 218 A HN 0.791 nan 8.150 nan 0.000 0.407 219 Q N -0.023 119.872 119.800 0.159 0.000 2.578 219 Q HA 0.711 5.068 4.340 0.029 0.000 0.284 219 Q C -2.077 173.984 176.000 0.102 0.000 0.960 219 Q CA -0.853 55.021 55.803 0.118 0.000 0.809 219 Q CB 1.501 30.318 28.738 0.132 0.000 1.462 219 Q HN 1.135 nan 8.270 nan 0.000 0.392 220 L N 2.410 123.657 121.223 0.041 0.000 2.346 220 L HA 0.803 5.160 4.340 0.029 0.000 0.276 220 L C -1.706 175.196 176.870 0.053 0.000 1.006 220 L CA -0.334 54.477 54.840 -0.049 0.000 0.817 220 L CB 1.635 43.615 42.059 -0.131 0.000 1.272 220 L HN 0.764 nan 8.230 nan 0.000 0.421 221 Y N 0.979 121.246 120.300 -0.056 0.000 2.670 221 Y HA 0.817 5.384 4.550 0.028 0.000 0.334 221 Y C -1.076 174.801 175.900 -0.037 0.000 1.185 221 Y CA -0.870 57.205 58.100 -0.042 0.000 1.053 221 Y CB 1.378 39.827 38.460 -0.018 0.000 1.298 221 Y HN 0.680 nan 8.280 nan 0.000 0.459 222 T N -0.444 114.220 114.554 0.183 0.000 2.896 222 T HA 0.382 4.749 4.350 0.029 0.000 0.297 222 T C 0.434 175.278 174.700 0.239 0.000 1.108 222 T CA -0.044 62.123 62.100 0.111 0.000 1.004 222 T CB 1.353 70.233 68.868 0.020 0.000 1.159 222 T HN 1.027 nan 8.240 nan 0.000 0.499 223 T N 0.853 115.521 114.554 0.189 0.000 3.113 223 T HA 0.265 4.632 4.350 0.029 0.000 0.256 223 T C 0.889 175.652 174.700 0.105 0.000 1.131 223 T CA 0.092 62.287 62.100 0.159 0.000 1.074 223 T CB -0.139 68.812 68.868 0.138 0.000 0.944 223 T HN 0.497 nan 8.240 nan 0.000 0.516 224 R N 1.502 122.060 120.500 0.097 0.000 2.577 224 R HA 0.311 4.668 4.340 0.029 0.000 0.269 224 R C -1.711 174.627 176.300 0.064 0.000 1.084 224 R CA -2.043 54.104 56.100 0.078 0.000 1.163 224 R CB -0.103 30.253 30.300 0.093 0.000 1.100 224 R HN -0.013 nan 8.270 nan 0.000 0.547 225 P HA -0.123 nan 4.420 nan 0.000 0.219 225 P C -0.462 176.855 177.300 0.029 0.000 1.146 225 P CA 1.391 64.514 63.100 0.038 0.000 0.808 225 P CB 0.316 32.032 31.700 0.027 0.000 0.779 226 K N -1.103 119.310 120.400 0.022 0.000 2.525 226 K HA 0.360 4.697 4.320 0.029 0.000 0.254 226 K C -1.219 175.361 176.600 -0.032 0.000 0.934 226 K CA -0.580 55.706 56.287 -0.002 0.000 0.802 226 K CB 0.873 33.368 32.500 -0.008 0.000 1.295 226 K HN -0.216 nan 8.250 nan 0.000 0.433 227 L N 5.700 126.884 121.223 -0.064 0.000 2.456 227 L HA 0.269 4.626 4.340 0.029 0.000 0.272 227 L C -1.229 175.526 176.870 -0.191 0.000 1.189 227 L CA -1.177 53.577 54.840 -0.143 0.000 0.846 227 L CB 0.764 42.739 42.059 -0.138 0.000 1.111 227 L HN 0.709 nan 8.230 nan 0.000 0.475 228 P HA -0.006 nan 4.420 nan 0.000 0.245 228 P C -0.140 176.960 177.300 -0.334 0.000 1.206 228 P CA 0.316 63.216 63.100 -0.334 0.000 0.781 228 P CB 0.460 31.796 31.700 -0.606 0.000 0.994 229 L N 1.573 122.599 121.223 -0.328 0.000 2.287 229 L HA 0.429 4.786 4.340 0.029 0.000 0.287 229 L C -0.117 176.639 176.870 -0.191 0.000 1.022 229 L CA -0.220 54.449 54.840 -0.285 0.000 0.814 229 L CB 1.359 43.234 42.059 -0.307 0.000 1.217 229 L HN -0.131 nan 8.230 nan 0.000 0.420 230 T N 1.569 116.032 114.554 -0.151 0.000 2.932 230 T HA 0.700 5.067 4.350 0.029 0.000 0.289 230 T C -0.533 174.115 174.700 -0.087 0.000 1.039 230 T CA -0.847 61.191 62.100 -0.104 0.000 1.024 230 T CB 1.669 70.489 68.868 -0.080 0.000 1.090 230 T HN 0.233 nan 8.240 nan 0.000 0.496 231 V N 2.978 122.845 119.914 -0.077 0.000 2.333 231 V HA 0.218 4.355 4.120 0.029 0.000 0.274 231 V C 0.937 176.984 176.094 -0.077 0.000 1.028 231 V CA -0.453 61.801 62.300 -0.077 0.000 0.851 231 V CB 1.010 32.789 31.823 -0.073 0.000 1.000 231 V HN 0.918 nan 8.190 nan 0.000 0.456 232 V N 4.036 123.892 119.914 -0.097 0.000 3.174 232 V HA 0.174 4.312 4.120 0.029 0.000 0.254 232 V C 0.629 176.646 176.094 -0.127 0.000 1.120 232 V CA 0.731 62.962 62.300 -0.115 0.000 1.114 232 V CB -0.334 31.391 31.823 -0.164 0.000 0.756 232 V HN 0.925 nan 8.190 nan 0.000 0.467 233 N N -1.502 117.118 118.700 -0.133 0.000 2.504 233 N HA 0.523 5.280 4.740 0.029 0.000 0.268 233 N C -0.122 175.329 175.510 -0.098 0.000 1.184 233 N CA 0.589 53.575 53.050 -0.107 0.000 0.875 233 N CB 1.864 40.284 38.487 -0.110 0.000 1.630 233 N HN 0.333 nan 8.380 nan 0.000 0.486 234 G N 0.824 109.584 108.800 -0.067 0.000 2.562 234 G HA2 -0.098 3.879 3.960 0.029 0.000 0.250 234 G HA3 -0.098 3.879 3.960 0.029 0.000 0.250 234 G C -1.289 173.574 174.900 -0.062 0.000 1.269 234 G CA -0.020 45.044 45.100 -0.060 0.000 0.919 234 G HN 1.103 nan 8.290 nan 0.000 0.574 235 S N 1.784 117.446 115.700 -0.062 0.000 2.706 235 S HA 0.628 5.115 4.470 0.029 0.000 0.270 235 S C -2.680 171.875 174.600 -0.076 0.000 1.163 235 S CA -0.398 57.763 58.200 -0.065 0.000 1.042 235 S CB 2.820 65.985 63.200 -0.058 0.000 1.079 235 S HN 0.827 nan 8.310 nan 0.000 0.474 236 P HA 0.477 nan 4.420 nan 0.000 0.274 236 P C 0.218 177.439 177.300 -0.131 0.000 1.231 236 P CA -0.153 62.895 63.100 -0.086 0.000 0.790 236 P CB 0.700 32.341 31.700 -0.099 0.000 0.951 237 G N -0.194 108.516 108.800 -0.149 0.000 2.820 237 G HA2 0.311 4.288 3.960 0.029 0.000 0.291 237 G HA3 0.311 4.288 3.960 0.029 0.000 0.291 237 G C 0.054 174.910 174.900 -0.073 0.000 1.323 237 G CA -0.721 44.261 45.100 -0.197 0.000 1.055 237 G HN 0.384 nan 8.290 nan 0.000 0.520 238 F N -0.252 119.612 119.950 -0.142 0.000 2.069 238 F HA -0.048 4.496 4.527 0.028 0.000 0.298 238 F C 2.481 178.237 175.800 -0.075 0.000 1.113 238 F CA 1.620 59.574 58.000 -0.078 0.000 1.214 238 F CB -0.034 38.958 39.000 -0.014 0.000 0.978 238 F HN 0.228 nan 8.300 nan 0.000 0.474 239 I N 0.168 120.882 120.570 0.239 0.000 2.394 239 I HA -0.308 3.880 4.170 0.029 0.000 0.251 239 I C 1.929 178.001 176.117 -0.076 0.000 1.136 239 I CA 1.398 62.776 61.300 0.130 0.000 1.425 239 I CB -0.691 37.411 38.000 0.170 0.000 1.079 239 I HN 0.236 nan 8.210 nan 0.000 0.425 240 N N 0.781 119.408 118.700 -0.122 0.000 2.094 240 N HA -0.219 4.539 4.740 0.029 0.000 0.191 240 N C 1.853 176.982 175.510 -0.635 0.000 1.023 240 N CA 1.192 54.038 53.050 -0.340 0.000 0.857 240 N CB -0.132 38.249 38.487 -0.177 0.000 1.013 240 N HN 0.287 nan 8.380 nan 0.000 0.426 241 L N 0.052 121.017 121.223 -0.429 0.000 2.109 241 L HA -0.101 4.256 4.340 0.029 0.000 0.207 241 L C 2.370 179.005 176.870 -0.392 0.000 1.086 241 L CA 0.565 55.139 54.840 -0.444 0.000 0.760 241 L CB -0.273 41.546 42.059 -0.400 0.000 0.910 241 L HN 0.347 nan 8.230 nan 0.000 0.437 242 C N -0.228 118.883 119.300 -0.315 0.000 2.429 242 C HA -0.166 4.311 4.460 0.029 0.000 0.277 242 C C 2.451 177.357 174.990 -0.140 0.000 1.262 242 C CA 0.540 59.455 59.018 -0.171 0.000 1.733 242 C CB -0.735 26.987 27.740 -0.030 0.000 2.010 242 C HN 0.544 nan 8.230 nan 0.000 0.483 243 D N 0.907 121.196 120.400 -0.185 0.000 2.077 243 D HA -0.072 4.585 4.640 0.029 0.000 0.196 243 D C 2.378 178.381 176.300 -0.496 0.000 0.986 243 D CA 1.776 55.669 54.000 -0.180 0.000 0.829 243 D CB -0.709 40.039 40.800 -0.087 0.000 0.983 243 D HN 0.446 nan 8.370 nan 0.000 0.453 244 A N 0.925 123.329 122.820 -0.693 0.000 1.892 244 A HA -0.187 4.151 4.320 0.029 0.000 0.218 244 A C 2.447 179.856 177.584 -0.291 0.000 1.188 244 A CA 1.332 53.046 52.037 -0.538 0.000 0.631 244 A CB -0.912 17.690 19.000 -0.664 0.000 0.822 244 A HN 0.240 nan 8.150 nan 0.000 0.447 245 L N -0.742 120.315 121.223 -0.276 0.000 2.179 245 L HA -0.107 4.250 4.340 0.029 0.000 0.208 245 L C 2.300 179.083 176.870 -0.146 0.000 1.096 245 L CA 0.865 55.617 54.840 -0.148 0.000 0.779 245 L CB -0.490 41.486 42.059 -0.138 0.000 0.922 245 L HN 0.425 nan 8.230 nan 0.000 0.443 246 N N 0.243 118.793 118.700 -0.251 0.000 2.207 246 N HA -0.068 4.689 4.740 0.029 0.000 0.182 246 N C 1.942 177.057 175.510 -0.657 0.000 1.020 246 N CA 1.295 54.164 53.050 -0.302 0.000 0.858 246 N CB 0.030 38.535 38.487 0.030 0.000 0.991 246 N HN 0.250 nan 8.380 nan 0.000 0.427 247 A N 1.781 124.000 122.820 -1.003 0.000 1.902 247 A HA -0.169 4.168 4.320 0.029 0.000 0.217 247 A C 2.011 179.384 177.584 -0.351 0.000 1.181 247 A CA 0.970 52.472 52.037 -0.891 0.000 0.623 247 A CB -1.142 17.380 19.000 -0.796 0.000 0.818 247 A HN 0.605 nan 8.150 nan 0.000 0.443 248 W N 0.770 121.849 121.300 -0.369 0.000 2.335 248 W HA -0.256 4.421 4.660 0.028 0.000 0.311 248 W C 2.040 178.403 176.519 -0.260 0.000 1.213 248 W CA 2.072 59.277 57.345 -0.234 0.000 1.274 248 W CB -0.410 28.939 29.460 -0.184 0.000 1.148 248 W HN 0.518 nan 8.180 nan 0.000 0.498 249 Q N 0.599 120.118 119.800 -0.468 0.000 2.096 249 Q HA -0.252 4.106 4.340 0.029 0.000 0.204 249 Q C 2.507 178.078 176.000 -0.715 0.000 0.982 249 Q CA 2.004 57.428 55.803 -0.632 0.000 0.850 249 Q CB -0.626 27.713 28.738 -0.665 0.000 0.901 249 Q HN 0.401 nan 8.270 nan 0.000 0.422 250 L N 0.660 121.418 121.223 -0.775 0.000 1.989 250 L HA -0.193 4.164 4.340 0.029 0.000 0.211 250 L C 2.405 179.126 176.870 -0.248 0.000 1.071 250 L CA 1.485 56.098 54.840 -0.378 0.000 0.749 250 L CB -0.325 41.667 42.059 -0.112 0.000 0.890 250 L HN 0.247 nan 8.230 nan 0.000 0.431 251 V N -2.485 117.246 119.914 -0.305 0.000 2.515 251 V HA -0.259 3.878 4.120 0.029 0.000 0.250 251 V C 2.483 178.338 176.094 -0.399 0.000 1.058 251 V CA 2.021 64.156 62.300 -0.275 0.000 1.064 251 V CB -0.898 30.797 31.823 -0.213 0.000 0.675 251 V HN 0.507 nan 8.190 nan 0.000 0.461 252 K N 0.493 120.483 120.400 -0.683 0.000 2.057 252 K HA -0.216 4.121 4.320 0.029 0.000 0.207 252 K C 2.224 178.635 176.600 -0.315 0.000 1.049 252 K CA 2.086 57.989 56.287 -0.638 0.000 0.931 252 K CB -0.232 31.723 32.500 -0.909 0.000 0.714 252 K HN 0.657 nan 8.250 nan 0.000 0.440 253 E N 0.474 120.525 120.200 -0.249 0.000 2.106 253 E HA -0.133 4.234 4.350 0.029 0.000 0.192 253 E C 2.056 178.610 176.600 -0.078 0.000 0.984 253 E CA 0.885 57.219 56.400 -0.111 0.000 0.806 253 E CB 0.035 29.722 29.700 -0.023 0.000 0.750 253 E HN 0.291 nan 8.360 nan 0.000 0.458 254 L N 0.895 122.068 121.223 -0.084 0.000 2.017 254 L HA -0.219 4.138 4.340 0.029 0.000 0.208 254 L C 2.628 179.467 176.870 -0.052 0.000 1.073 254 L CA 1.330 56.144 54.840 -0.044 0.000 0.745 254 L CB -0.354 41.686 42.059 -0.031 0.000 0.894 254 L HN 0.069 nan 8.230 nan 0.000 0.432 255 K N 0.019 120.368 120.400 -0.086 0.000 2.057 255 K HA -0.233 4.105 4.320 0.029 0.000 0.207 255 K C 2.116 178.681 176.600 -0.058 0.000 1.049 255 K CA 1.496 57.740 56.287 -0.072 0.000 0.931 255 K CB -0.015 32.425 32.500 -0.100 0.000 0.714 255 K HN 0.313 nan 8.250 nan 0.000 0.440 256 Q N -0.349 119.409 119.800 -0.071 0.000 2.096 256 Q HA -0.150 4.207 4.340 0.029 0.000 0.204 256 Q C 2.093 178.071 176.000 -0.037 0.000 0.982 256 Q CA 1.735 57.507 55.803 -0.052 0.000 0.850 256 Q CB -0.136 28.567 28.738 -0.058 0.000 0.901 256 Q HN 0.460 nan 8.270 nan 0.000 0.422 257 A N -0.033 122.766 122.820 -0.034 0.000 1.970 257 A HA -0.025 4.312 4.320 0.029 0.000 0.216 257 A C 1.761 179.338 177.584 -0.011 0.000 1.170 257 A CA 0.917 52.940 52.037 -0.023 0.000 0.645 257 A CB -0.020 18.970 19.000 -0.017 0.000 0.816 257 A HN 0.284 nan 8.150 nan 0.000 0.447 258 L N -2.296 118.921 121.223 -0.010 0.000 2.701 258 L HA 0.301 4.658 4.340 0.029 0.000 0.238 258 L C 1.525 178.392 176.870 -0.005 0.000 1.106 258 L CA 0.458 55.297 54.840 -0.002 0.000 0.898 258 L CB 0.213 42.275 42.059 0.005 0.000 1.188 258 L HN 0.492 nan 8.230 nan 0.000 0.508 259 G N 1.753 110.546 108.800 -0.012 0.000 2.179 259 G HA2 -0.281 3.696 3.960 0.029 0.000 0.257 259 G HA3 -0.281 3.696 3.960 0.029 0.000 0.257 259 G C 0.039 174.936 174.900 -0.005 0.000 1.010 259 G CA 0.314 45.408 45.100 -0.010 0.000 0.736 259 G HN 0.317 nan 8.290 nan 0.000 0.513 260 I N 0.197 120.764 120.570 -0.005 0.000 2.509 260 I HA 0.351 4.538 4.170 0.029 0.000 0.293 260 I C -2.186 173.930 176.117 -0.001 0.000 1.020 260 I CA -2.795 58.507 61.300 0.003 0.000 1.088 260 I CB 2.261 40.268 38.000 0.011 0.000 1.267 260 I HN -0.208 nan 8.210 nan 0.000 0.430 261 P HA 0.075 nan 4.420 nan 0.000 0.264 261 P C -0.876 176.432 177.300 0.013 0.000 1.179 261 P CA 0.150 63.253 63.100 0.005 0.000 0.763 261 P CB 0.566 32.276 31.700 0.016 0.000 0.806 262 A N 1.787 124.609 122.820 0.004 0.000 2.479 262 A HA 0.910 5.248 4.320 0.029 0.000 0.296 262 A C -1.214 176.396 177.584 0.043 0.000 1.121 262 A CA -0.279 51.769 52.037 0.018 0.000 0.743 262 A CB 1.842 20.833 19.000 -0.015 0.000 1.323 262 A HN 0.558 nan 8.150 nan 0.000 0.415 263 A N -0.826 122.045 122.820 0.086 0.000 2.609 263 A HA 1.004 5.341 4.320 0.029 0.000 0.291 263 A C -0.612 177.084 177.584 0.187 0.000 1.096 263 A CA -0.024 52.106 52.037 0.155 0.000 0.684 263 A CB 1.207 20.360 19.000 0.255 0.000 1.282 263 A HN 2.643 nan 8.150 nan 0.000 0.412 264 A N -0.205 122.770 122.820 0.259 0.000 2.594 264 A HA 0.828 5.165 4.320 0.029 0.000 0.295 264 A C -0.617 177.221 177.584 0.423 0.000 1.071 264 A CA 0.189 52.414 52.037 0.313 0.000 0.685 264 A CB 1.415 20.613 19.000 0.330 0.000 1.285 264 A HN 2.044 nan 8.150 nan 0.000 0.405 265 S N 1.060 117.006 115.700 0.410 0.000 2.596 265 S HA 0.744 5.232 4.470 0.029 0.000 0.318 265 S C -1.473 173.369 174.600 0.404 0.000 1.097 265 S CA -0.274 58.181 58.200 0.425 0.000 1.080 265 S CB -0.091 63.295 63.200 0.310 0.000 0.991 265 S HN 0.494 nan 8.310 nan 0.000 0.471 266 F N 3.404 123.492 119.950 0.229 0.000 2.450 266 F HA 0.737 5.281 4.527 0.028 0.000 0.332 266 F C 0.191 176.107 175.800 0.194 0.000 1.093 266 F CA -0.612 57.510 58.000 0.203 0.000 1.003 266 F CB 1.997 41.116 39.000 0.198 0.000 1.151 266 F HN 0.525 nan 8.300 nan 0.000 0.474 267 K N 1.907 122.414 120.400 0.177 0.000 2.553 267 K HA 0.329 4.666 4.320 0.029 0.000 0.250 267 K C -0.614 176.087 176.600 0.168 0.000 0.953 267 K CA -0.438 55.947 56.287 0.163 0.000 0.800 267 K CB 0.453 33.056 32.500 0.171 0.000 1.243 267 K HN 0.594 nan 8.250 nan 0.000 0.435 268 H N 3.152 122.332 119.070 0.184 0.000 2.655 268 H HA -0.148 4.425 4.556 0.028 0.000 0.313 268 H C -0.184 175.245 175.328 0.168 0.000 1.141 268 H CA 1.224 57.368 56.048 0.160 0.000 1.138 268 H CB -1.389 28.447 29.762 0.123 0.000 1.446 268 H HN 0.661 nan 8.280 nan 0.000 0.415 269 V N -1.957 118.144 119.914 0.312 0.000 4.349 269 V HA -0.302 3.835 4.120 0.029 0.000 0.247 269 V C 0.680 176.965 176.094 0.318 0.000 0.442 269 V CA 1.570 64.116 62.300 0.411 0.000 0.865 269 V CB -1.967 30.043 31.823 0.311 0.000 0.887 269 V HN 0.570 nan 8.190 nan 0.000 1.302 270 S N -0.033 115.628 115.700 -0.066 0.000 2.595 270 S HA 0.738 5.225 4.470 0.029 0.000 0.281 270 S C -2.813 171.124 174.600 -1.105 0.000 1.117 270 S CA -1.058 56.913 58.200 -0.382 0.000 0.873 270 S CB 3.068 66.211 63.200 -0.095 0.000 1.108 270 S HN 0.231 nan 8.310 nan 0.000 0.477 271 P HA 0.275 nan 4.420 nan 0.000 0.276 271 P C -0.182 176.964 177.300 -0.257 0.000 1.230 271 P CA -0.179 62.471 63.100 -0.749 0.000 0.776 271 P CB 0.773 32.326 31.700 -0.245 0.000 0.888 272 A N 3.199 125.954 122.820 -0.108 0.000 2.021 272 A HA 0.434 4.771 4.320 0.029 0.000 0.216 272 A C 1.058 178.663 177.584 0.035 0.000 1.163 272 A CA 1.386 53.431 52.037 0.012 0.000 0.676 272 A CB -0.589 18.460 19.000 0.081 0.000 0.818 272 A HN 0.661 nan 8.150 nan 0.000 0.453 273 G N -2.824 106.005 108.800 0.047 0.000 2.601 273 G HA2 0.673 4.651 3.960 0.029 0.000 0.291 273 G HA3 0.673 4.651 3.960 0.029 0.000 0.291 273 G C -1.321 173.637 174.900 0.096 0.000 1.456 273 G CA 0.147 45.280 45.100 0.055 0.000 0.804 273 G HN 1.256 nan 8.290 nan 0.000 0.499 274 A N -0.981 121.886 122.820 0.079 0.000 2.577 274 A HA 1.084 5.421 4.320 0.029 0.000 0.297 274 A C -0.480 177.145 177.584 0.068 0.000 1.060 274 A CA 0.324 52.425 52.037 0.106 0.000 0.697 274 A CB 1.294 20.372 19.000 0.131 0.000 1.281 274 A HN 2.615 nan 8.150 nan 0.000 0.402 275 A N 0.351 123.216 122.820 0.075 0.000 2.610 275 A HA 0.850 5.187 4.320 0.029 0.000 0.291 275 A C -0.425 177.193 177.584 0.057 0.000 1.086 275 A CA 0.031 52.102 52.037 0.057 0.000 0.677 275 A CB 0.570 19.607 19.000 0.060 0.000 1.278 275 A HN 2.305 nan 8.150 nan 0.000 0.414 276 V N -1.307 118.635 119.914 0.047 0.000 3.096 276 V HA 0.837 4.974 4.120 0.029 0.000 0.319 276 V C 0.908 177.034 176.094 0.054 0.000 1.082 276 V CA -0.069 62.256 62.300 0.042 0.000 1.022 276 V CB 1.397 33.237 31.823 0.028 0.000 1.103 276 V HN 1.703 nan 8.190 nan 0.000 0.455 277 G N 1.607 110.437 108.800 0.050 0.000 3.353 277 G HA2 0.295 4.273 3.960 0.029 0.000 0.247 277 G HA3 0.295 4.273 3.960 0.029 0.000 0.247 277 G C 0.265 175.200 174.900 0.058 0.000 1.025 277 G CA -0.381 44.754 45.100 0.058 0.000 1.863 277 G HN 0.634 nan 8.290 nan 0.000 0.635 278 I N 1.748 122.357 120.570 0.065 0.000 2.598 278 I HA 0.076 4.263 4.170 0.029 0.000 0.284 278 I C -1.659 174.512 176.117 0.090 0.000 1.140 278 I CA -1.573 59.770 61.300 0.071 0.000 1.420 278 I CB 0.880 38.926 38.000 0.076 0.000 1.387 278 I HN 0.102 nan 8.210 nan 0.000 0.553 279 P HA 0.109 nan 4.420 nan 0.000 0.268 279 P C -0.697 176.690 177.300 0.145 0.000 1.205 279 P CA -0.284 62.874 63.100 0.098 0.000 0.771 279 P CB 0.517 32.262 31.700 0.075 0.000 0.858 280 L N 2.275 123.613 121.223 0.191 0.000 2.326 280 L HA 0.224 4.581 4.340 0.029 0.000 0.278 280 L C 1.177 178.216 176.870 0.282 0.000 1.092 280 L CA 0.335 55.312 54.840 0.229 0.000 0.810 280 L CB 0.343 42.538 42.059 0.227 0.000 1.153 280 L HN 0.414 nan 8.230 nan 0.000 0.439 281 S N 0.996 116.802 115.700 0.176 0.000 2.600 281 S HA 0.177 4.664 4.470 0.029 0.000 0.265 281 S C 0.938 175.482 174.600 -0.094 0.000 1.325 281 S CA -0.584 57.679 58.200 0.106 0.000 1.002 281 S CB 0.673 63.940 63.200 0.112 0.000 0.921 281 S HN 0.621 nan 8.310 nan 0.000 0.554 282 E N 0.914 120.987 120.200 -0.211 0.000 2.118 282 E HA -0.168 4.199 4.350 0.029 0.000 0.195 282 E C 1.925 178.487 176.600 -0.064 0.000 0.992 282 E CA 1.780 58.003 56.400 -0.295 0.000 0.804 282 E CB -0.187 29.466 29.700 -0.078 0.000 0.741 282 E HN 0.764 nan 8.360 nan 0.000 0.458 283 E N 0.314 120.505 120.200 -0.014 0.000 2.051 283 E HA -0.227 4.140 4.350 0.029 0.000 0.192 283 E C 2.053 178.639 176.600 -0.022 0.000 0.991 283 E CA 1.122 57.520 56.400 -0.004 0.000 0.799 283 E CB -0.038 29.695 29.700 0.056 0.000 0.748 283 E HN 0.121 nan 8.360 nan 0.000 0.449 284 E N 0.826 121.052 120.200 0.044 0.000 2.110 284 E HA -0.141 4.227 4.350 0.029 0.000 0.193 284 E C 1.806 178.420 176.600 0.023 0.000 0.988 284 E CA 1.223 57.660 56.400 0.061 0.000 0.804 284 E CB -0.244 29.571 29.700 0.191 0.000 0.745 284 E HN 0.251 nan 8.360 nan 0.000 0.458 285 A N 0.402 123.229 122.820 0.011 0.000 1.908 285 A HA -0.297 4.041 4.320 0.029 0.000 0.218 285 A C 2.212 179.821 177.584 0.042 0.000 1.181 285 A CA 2.020 54.077 52.037 0.034 0.000 0.627 285 A CB -0.749 18.224 19.000 -0.045 0.000 0.818 285 A HN 0.408 nan 8.150 nan 0.000 0.445 286 Q N -0.241 119.566 119.800 0.011 0.000 2.084 286 Q HA -0.133 4.224 4.340 0.029 0.000 0.202 286 Q C 1.810 177.760 176.000 -0.084 0.000 0.978 286 Q CA 2.236 58.015 55.803 -0.041 0.000 0.844 286 Q CB -0.340 28.326 28.738 -0.120 0.000 0.898 286 Q HN 0.355 nan 8.270 nan 0.000 0.426 287 V N -0.165 119.657 119.914 -0.153 0.000 2.407 287 V HA -0.277 3.860 4.120 0.029 0.000 0.248 287 V C 2.092 178.136 176.094 -0.083 0.000 1.055 287 V CA 1.579 63.748 62.300 -0.219 0.000 1.049 287 V CB -0.390 31.140 31.823 -0.488 0.000 0.662 287 V HN 0.564 nan 8.190 nan 0.000 0.455 288 C N 0.203 119.494 119.300 -0.015 0.000 2.626 288 C HA 0.242 4.719 4.460 0.029 0.000 0.266 288 C C 1.445 176.446 174.990 0.018 0.000 1.317 288 C CA -0.427 58.610 59.018 0.031 0.000 1.716 288 C CB -1.188 26.590 27.740 0.064 0.000 1.819 288 C HN 0.656 nan 8.230 nan 0.000 0.578 289 M N -0.585 119.018 119.600 0.005 0.000 2.653 289 M HA -0.139 4.359 4.480 0.029 0.000 0.203 289 M C 0.441 176.761 176.300 0.034 0.000 0.502 289 M CA 0.817 56.120 55.300 0.006 0.000 0.601 289 M CB -2.315 30.277 32.600 -0.013 0.000 2.228 289 M HN 0.440 nan 8.290 nan 0.000 0.711 290 V N -3.706 116.245 119.914 0.061 0.000 2.909 290 V HA 0.241 4.379 4.120 0.029 0.000 0.362 290 V C 1.636 177.785 176.094 0.092 0.000 1.356 290 V CA 0.240 62.584 62.300 0.073 0.000 1.195 290 V CB -0.008 31.860 31.823 0.076 0.000 1.256 290 V HN 0.568 nan 8.190 nan 0.000 0.567 291 H N 3.057 122.137 119.070 0.016 0.000 2.389 291 H HA -0.123 4.450 4.556 0.029 0.000 0.299 291 H C 1.756 177.116 175.328 0.054 0.000 1.081 291 H CA 2.249 58.304 56.048 0.013 0.000 1.345 291 H CB 0.160 29.902 29.762 -0.033 0.000 1.393 291 H HN 0.743 nan 8.280 nan 0.000 0.520 292 D N 0.552 121.002 120.400 0.084 0.000 2.310 292 D HA -0.120 4.537 4.640 0.029 0.000 0.212 292 D C 1.748 178.047 176.300 -0.003 0.000 0.965 292 D CA 0.455 54.481 54.000 0.043 0.000 0.879 292 D CB -0.425 40.415 40.800 0.066 0.000 0.921 292 D HN 0.434 nan 8.370 nan 0.000 0.510 293 L N -0.591 120.636 121.223 0.007 0.000 2.693 293 L HA 0.130 4.487 4.340 0.029 0.000 0.235 293 L C 2.275 179.155 176.870 0.017 0.000 1.127 293 L CA -0.354 54.494 54.840 0.014 0.000 0.914 293 L CB -0.308 41.771 42.059 0.033 0.000 1.193 293 L HN 0.079 nan 8.230 nan 0.000 0.502 294 H N 2.299 121.297 119.070 -0.120 0.000 2.265 294 H HA -0.228 4.345 4.556 0.029 0.000 0.293 294 H C 1.604 176.892 175.328 -0.067 0.000 1.089 294 H CA 2.186 58.166 56.048 -0.112 0.000 1.244 294 H CB 0.360 29.989 29.762 -0.221 0.000 1.355 294 H HN 0.298 nan 8.280 nan 0.000 0.485 295 K N -0.178 120.107 120.400 -0.192 0.000 2.281 295 K HA -0.090 4.247 4.320 0.029 0.000 0.203 295 K C 2.059 178.573 176.600 -0.144 0.000 1.046 295 K CA 1.536 57.696 56.287 -0.211 0.000 0.938 295 K CB -0.055 32.386 32.500 -0.098 0.000 0.737 295 K HN 0.423 nan 8.250 nan 0.000 0.458 296 T N -1.102 113.397 114.554 -0.092 0.000 3.107 296 T HA 0.155 4.523 4.350 0.029 0.000 0.249 296 T C 0.526 175.201 174.700 -0.043 0.000 1.096 296 T CA -0.314 61.754 62.100 -0.053 0.000 1.012 296 T CB -0.149 68.704 68.868 -0.025 0.000 0.977 296 T HN -0.032 nan 8.240 nan 0.000 0.527 297 L N 3.631 124.816 121.223 -0.062 0.000 2.410 297 L HA 0.330 4.687 4.340 0.029 0.000 0.273 297 L C 1.041 177.900 176.870 -0.017 0.000 1.152 297 L CA -0.526 54.302 54.840 -0.020 0.000 0.855 297 L CB 0.600 42.660 42.059 0.002 0.000 1.129 297 L HN 0.372 nan 8.230 nan 0.000 0.463 298 T N -0.197 114.363 114.554 0.009 0.000 2.936 298 T HA 0.363 4.730 4.350 0.029 0.000 0.282 298 T C -1.968 172.748 174.700 0.028 0.000 1.003 298 T CA -1.963 60.144 62.100 0.011 0.000 1.005 298 T CB 1.665 70.542 68.868 0.015 0.000 1.097 298 T HN 0.260 nan 8.240 nan 0.000 0.532 299 P HA -0.066 nan 4.420 nan 0.000 0.216 299 P C 1.674 179.004 177.300 0.050 0.000 1.153 299 P CA 0.411 63.533 63.100 0.037 0.000 0.858 299 P CB -0.044 31.672 31.700 0.027 0.000 0.789 300 L N -0.276 120.974 121.223 0.046 0.000 2.017 300 L HA -0.091 4.266 4.340 0.029 0.000 0.208 300 L C 2.253 179.181 176.870 0.096 0.000 1.073 300 L CA 2.156 57.032 54.840 0.059 0.000 0.745 300 L CB -1.519 40.564 42.059 0.039 0.000 0.894 300 L HN -0.119 nan 8.230 nan 0.000 0.432 301 A N -1.453 121.421 122.820 0.089 0.000 1.978 301 A HA -0.195 4.143 4.320 0.029 0.000 0.220 301 A C 2.374 180.038 177.584 0.133 0.000 1.170 301 A CA 2.008 54.118 52.037 0.122 0.000 0.636 301 A CB -0.914 18.139 19.000 0.089 0.000 0.810 301 A HN 0.557 nan 8.150 nan 0.000 0.448 302 S N -0.185 115.575 115.700 0.101 0.000 2.368 302 S HA -0.012 4.476 4.470 0.029 0.000 0.224 302 S C 2.324 176.988 174.600 0.107 0.000 1.029 302 S CA 1.090 59.352 58.200 0.102 0.000 0.988 302 S CB -0.459 62.794 63.200 0.089 0.000 0.838 302 S HN 0.808 nan 8.310 nan 0.000 0.462 303 A N 0.553 123.439 122.820 0.110 0.000 1.908 303 A HA -0.149 4.188 4.320 0.029 0.000 0.218 303 A C 1.998 179.670 177.584 0.146 0.000 1.181 303 A CA 1.683 53.788 52.037 0.114 0.000 0.627 303 A CB -0.913 18.150 19.000 0.105 0.000 0.818 303 A HN 0.574 nan 8.150 nan 0.000 0.445 304 Y N 0.481 120.826 120.300 0.075 0.000 2.220 304 Y HA 0.029 4.596 4.550 0.029 0.000 0.291 304 Y C 2.670 178.627 175.900 0.094 0.000 1.129 304 Y CA 0.862 59.013 58.100 0.084 0.000 1.161 304 Y CB -0.693 37.813 38.460 0.076 0.000 0.997 304 Y HN 0.308 nan 8.280 nan 0.000 0.522 305 A N 0.781 123.575 122.820 -0.043 0.000 1.917 305 A HA -0.257 4.080 4.320 0.029 0.000 0.219 305 A C 2.345 179.882 177.584 -0.078 0.000 1.182 305 A CA 2.168 54.152 52.037 -0.089 0.000 0.633 305 A CB -0.660 18.367 19.000 0.045 0.000 0.819 305 A HN 0.543 nan 8.150 nan 0.000 0.448 306 R N -0.562 119.942 120.500 0.007 0.000 2.092 306 R HA -0.037 4.321 4.340 0.029 0.000 0.231 306 R C 2.493 178.804 176.300 0.018 0.000 1.119 306 R CA 1.386 57.527 56.100 0.068 0.000 0.970 306 R CB -0.308 30.053 30.300 0.102 0.000 0.864 306 R HN 0.527 nan 8.270 nan 0.000 0.440 307 S N 0.595 116.267 115.700 -0.046 0.000 2.368 307 S HA -0.108 4.379 4.470 0.029 0.000 0.224 307 S C 1.832 176.383 174.600 -0.083 0.000 1.029 307 S CA 0.946 59.133 58.200 -0.021 0.000 0.988 307 S CB -0.111 63.125 63.200 0.060 0.000 0.838 307 S HN 0.289 nan 8.310 nan 0.000 0.462 308 R N 0.785 121.101 120.500 -0.307 0.000 2.236 308 R HA 0.010 4.368 4.340 0.029 0.000 0.208 308 R C 2.004 178.281 176.300 -0.038 0.000 1.036 308 R CA 0.814 56.779 56.100 -0.226 0.000 1.001 308 R CB -0.300 29.714 30.300 -0.477 0.000 0.896 308 R HN 0.424 nan 8.270 nan 0.000 0.464 309 G N -0.740 108.070 108.800 0.016 0.000 2.813 309 G HA2 -0.055 3.922 3.960 0.029 0.000 0.209 309 G HA3 -0.055 3.922 3.960 0.029 0.000 0.209 309 G C 1.296 176.365 174.900 0.282 0.000 1.150 309 G CA 0.420 45.607 45.100 0.145 0.000 0.785 309 G HN 0.359 nan 8.290 nan 0.000 0.535 310 A N 0.006 122.939 122.820 0.188 0.000 1.883 310 A HA 0.029 4.367 4.320 0.029 0.000 0.217 310 A C 1.128 178.854 177.584 0.236 0.000 1.186 310 A CA 1.615 53.756 52.037 0.173 0.000 0.624 310 A CB 0.028 19.057 19.000 0.048 0.000 0.822 310 A HN 0.288 nan 8.150 nan 0.000 0.444 311 D N -2.282 118.222 120.400 0.174 0.000 2.318 311 D HA 0.184 4.841 4.640 0.029 0.000 0.233 311 D C 0.500 176.887 176.300 0.144 0.000 1.348 311 D CA -0.454 53.645 54.000 0.165 0.000 0.983 311 D CB 0.497 41.382 40.800 0.141 0.000 1.416 311 D HN 0.077 nan 8.370 nan 0.000 0.558 312 R N 2.131 122.716 120.500 0.141 0.000 2.152 312 R HA -0.058 4.299 4.340 0.029 0.000 0.232 312 R C 1.764 178.160 176.300 0.160 0.000 1.117 312 R CA 0.728 56.907 56.100 0.132 0.000 0.981 312 R CB 0.051 30.415 30.300 0.107 0.000 0.870 312 R HN 0.518 nan 8.270 nan 0.000 0.451 313 M N 0.101 119.787 119.600 0.143 0.000 2.123 313 M HA -0.035 4.462 4.480 0.029 0.000 0.263 313 M C 2.149 178.551 176.300 0.170 0.000 1.069 313 M CA 1.427 56.806 55.300 0.133 0.000 1.133 313 M CB -0.820 31.837 32.600 0.094 0.000 1.356 313 M HN -0.036 nan 8.290 nan 0.000 0.415 314 S N 0.648 116.441 115.700 0.156 0.000 2.419 314 S HA -0.060 4.428 4.470 0.029 0.000 0.233 314 S C 1.963 176.683 174.600 0.200 0.000 1.016 314 S CA 1.081 59.380 58.200 0.166 0.000 0.974 314 S CB -0.205 63.074 63.200 0.132 0.000 0.786 314 S HN 0.410 nan 8.310 nan 0.000 0.492 315 S N 0.629 116.450 115.700 0.201 0.000 2.603 315 S HA 0.224 4.711 4.470 0.029 0.000 0.220 315 S C 0.303 175.045 174.600 0.237 0.000 0.967 315 S CA -0.308 58.016 58.200 0.206 0.000 0.920 315 S CB -0.240 63.059 63.200 0.166 0.000 0.773 315 S HN 0.518 nan 8.310 nan 0.000 0.529 316 F N 2.715 122.735 119.950 0.116 0.000 2.590 316 F HA 0.354 4.898 4.527 0.029 0.000 0.389 316 F C 1.321 177.193 175.800 0.121 0.000 1.049 316 F CA 0.682 58.747 58.000 0.108 0.000 1.199 316 F CB -0.038 39.018 39.000 0.093 0.000 1.058 316 F HN 0.271 nan 8.300 nan 0.000 0.556 317 G N 3.963 112.678 108.800 -0.142 0.000 2.221 317 G HA2 -0.297 3.680 3.960 0.029 0.000 0.265 317 G HA3 -0.297 3.680 3.960 0.029 0.000 0.265 317 G C -0.255 174.713 174.900 0.113 0.000 1.041 317 G CA 0.158 45.251 45.100 -0.013 0.000 0.807 317 G HN 1.017 nan 8.290 nan 0.000 0.502 318 D N -0.786 119.698 120.400 0.141 0.000 2.357 318 D HA 0.453 5.110 4.640 0.029 0.000 0.242 318 D C -0.113 176.310 176.300 0.204 0.000 1.153 318 D CA -0.776 53.352 54.000 0.215 0.000 0.918 318 D CB 0.783 41.738 40.800 0.258 0.000 1.181 318 D HN 0.061 nan 8.370 nan 0.000 0.435 319 F N 0.361 120.412 119.950 0.168 0.000 2.427 319 F HA 0.425 4.970 4.527 0.029 0.000 0.346 319 F C -0.260 175.636 175.800 0.160 0.000 1.120 319 F CA -0.969 57.098 58.000 0.112 0.000 1.033 319 F CB 0.778 39.816 39.000 0.063 0.000 1.126 319 F HN 0.214 nan 8.300 nan 0.000 0.462 320 I N 4.921 125.502 120.570 0.019 0.000 2.437 320 I HA 0.616 4.803 4.170 0.029 0.000 0.298 320 I C -0.249 175.965 176.117 0.161 0.000 0.984 320 I CA -0.710 60.653 61.300 0.105 0.000 1.214 320 I CB 1.575 39.478 38.000 -0.162 0.000 1.365 320 I HN 0.661 nan 8.210 nan 0.000 0.469 321 A N 7.134 130.067 122.820 0.187 0.000 2.365 321 A HA 0.901 5.238 4.320 0.029 0.000 0.318 321 A C -0.996 176.667 177.584 0.130 0.000 1.091 321 A CA -0.530 51.614 52.037 0.177 0.000 0.763 321 A CB 1.160 20.250 19.000 0.149 0.000 1.248 321 A HN 0.662 nan 8.150 nan 0.000 0.442 322 L N 1.944 123.246 121.223 0.131 0.000 2.385 322 L HA 0.357 4.714 4.340 0.029 0.000 0.273 322 L C 1.353 178.276 176.870 0.089 0.000 0.990 322 L CA -0.445 54.441 54.840 0.076 0.000 0.821 322 L CB 2.342 44.412 42.059 0.018 0.000 1.279 322 L HN 0.936 nan 8.230 nan 0.000 0.412 323 S N -0.334 115.364 115.700 -0.003 0.000 2.481 323 S HA 0.040 4.527 4.470 0.029 0.000 0.231 323 S C 0.234 174.845 174.600 0.018 0.000 0.996 323 S CA 0.445 58.597 58.200 -0.079 0.000 0.942 323 S CB -0.134 62.990 63.200 -0.126 0.000 0.768 323 S HN 0.732 nan 8.310 nan 0.000 0.520 324 D N -0.370 120.041 120.400 0.019 0.000 2.566 324 D HA 0.504 5.161 4.640 0.029 0.000 0.254 324 D C -0.676 175.595 176.300 -0.048 0.000 1.090 324 D CA -0.800 53.203 54.000 0.004 0.000 1.034 324 D CB 1.085 41.882 40.800 -0.004 0.000 1.434 324 D HN 0.081 nan 8.370 nan 0.000 0.509 325 I N 1.224 121.756 120.570 -0.065 0.000 2.741 325 I HA -0.057 4.131 4.170 0.029 0.000 0.288 325 I C 0.492 176.531 176.117 -0.130 0.000 1.192 325 I CA 0.000 61.221 61.300 -0.132 0.000 1.426 325 I CB 0.168 38.122 38.000 -0.076 0.000 1.367 325 I HN 0.325 nan 8.210 nan 0.000 0.563 326 C N 7.888 127.048 119.300 -0.233 0.000 2.638 326 C HA 0.037 4.515 4.460 0.029 0.000 0.410 326 C C 0.445 175.433 174.990 -0.003 0.000 1.404 326 C CA -0.469 58.492 59.018 -0.096 0.000 1.651 326 C CB -1.267 26.459 27.740 -0.024 0.000 2.495 326 C HN 0.847 nan 8.230 nan 0.000 0.606 327 D N 3.960 124.366 120.400 0.011 0.000 2.478 327 D HA 0.281 4.938 4.640 0.029 0.000 0.263 327 D C 0.879 177.199 176.300 0.033 0.000 1.153 327 D CA -0.743 53.271 54.000 0.022 0.000 1.038 327 D CB 0.464 41.273 40.800 0.015 0.000 1.120 327 D HN 0.233 nan 8.370 nan 0.000 0.564 328 V N 0.008 119.937 119.914 0.026 0.000 2.358 328 V HA -0.096 4.042 4.120 0.029 0.000 0.246 328 V C -0.956 175.151 176.094 0.021 0.000 1.047 328 V CA 1.728 64.041 62.300 0.022 0.000 1.035 328 V CB -1.488 30.343 31.823 0.014 0.000 0.658 328 V HN 0.541 nan 8.190 nan 0.000 0.452 329 P HA -0.125 nan 4.420 nan 0.000 0.215 329 P C 1.855 179.183 177.300 0.046 0.000 1.157 329 P CA 1.791 64.908 63.100 0.028 0.000 0.868 329 P CB -0.210 31.506 31.700 0.025 0.000 0.788 330 T N -0.549 114.036 114.554 0.051 0.000 2.720 330 T HA -0.188 4.179 4.350 0.029 0.000 0.268 330 T C 1.874 176.594 174.700 0.034 0.000 1.037 330 T CA 1.777 63.916 62.100 0.064 0.000 1.144 330 T CB -0.996 67.901 68.868 0.049 0.000 0.864 330 T HN 0.060 nan 8.240 nan 0.000 0.444 331 A N 1.706 124.540 122.820 0.023 0.000 1.902 331 A HA -0.110 4.227 4.320 0.029 0.000 0.217 331 A C 2.254 179.827 177.584 -0.019 0.000 1.181 331 A CA 1.487 53.524 52.037 0.001 0.000 0.623 331 A CB -0.408 18.602 19.000 0.016 0.000 0.818 331 A HN 0.471 nan 8.150 nan 0.000 0.443 332 K N -0.356 120.044 120.400 0.001 0.000 2.063 332 K HA -0.090 4.247 4.320 0.029 0.000 0.208 332 K C 1.815 178.422 176.600 0.012 0.000 1.048 332 K CA 1.551 57.837 56.287 -0.002 0.000 0.928 332 K CB -0.410 32.094 32.500 0.006 0.000 0.713 332 K HN 0.536 nan 8.250 nan 0.000 0.442 333 I N 1.046 121.647 120.570 0.051 0.000 2.179 333 I HA -0.295 3.892 4.170 0.029 0.000 0.242 333 I C 2.314 178.484 176.117 0.089 0.000 1.088 333 I CA 1.380 62.739 61.300 0.099 0.000 1.357 333 I CB -0.293 37.829 38.000 0.203 0.000 1.051 333 I HN 0.116 nan 8.210 nan 0.000 0.409 334 I N -0.074 120.520 120.570 0.041 0.000 2.286 334 I HA -0.305 3.882 4.170 0.029 0.000 0.248 334 I C 2.779 178.813 176.117 -0.138 0.000 1.115 334 I CA 1.262 62.533 61.300 -0.048 0.000 1.392 334 I CB -0.378 37.514 38.000 -0.180 0.000 1.065 334 I HN 0.216 nan 8.210 nan 0.000 0.418 335 S N 1.412 117.025 115.700 -0.144 0.000 2.387 335 S HA -0.239 4.248 4.470 0.029 0.000 0.230 335 S C 2.073 176.587 174.600 -0.143 0.000 1.035 335 S CA 1.817 59.908 58.200 -0.181 0.000 1.014 335 S CB -0.249 62.879 63.200 -0.120 0.000 0.836 335 S HN 0.538 nan 8.310 nan 0.000 0.466 336 R N -0.128 120.325 120.500 -0.080 0.000 2.317 336 R HA 0.268 4.625 4.340 0.029 0.000 0.208 336 R C -0.095 176.174 176.300 -0.051 0.000 0.914 336 R CA -0.061 56.004 56.100 -0.059 0.000 1.060 336 R CB 0.039 30.320 30.300 -0.032 0.000 1.015 336 R HN 0.304 nan 8.270 nan 0.000 0.498 337 E N 1.355 121.524 120.200 -0.052 0.000 2.232 337 E HA 0.234 4.602 4.350 0.029 0.000 0.265 337 E C -0.637 175.899 176.600 -0.107 0.000 1.001 337 E CA -0.998 55.381 56.400 -0.035 0.000 0.870 337 E CB 2.454 32.183 29.700 0.050 0.000 1.175 337 E HN -0.133 nan 8.360 nan 0.000 0.407 338 V N 1.764 121.581 119.914 -0.161 0.000 2.389 338 V HA 0.209 4.346 4.120 0.029 0.000 0.264 338 V C 0.299 176.250 176.094 -0.238 0.000 1.049 338 V CA 0.131 62.233 62.300 -0.329 0.000 0.932 338 V CB 0.623 31.961 31.823 -0.808 0.000 1.011 338 V HN 0.528 nan 8.190 nan 0.000 0.475 339 S N 2.747 118.376 115.700 -0.118 0.000 2.546 339 S HA 0.452 4.940 4.470 0.029 0.000 0.274 339 S C 0.093 174.802 174.600 0.181 0.000 1.121 339 S CA -0.633 57.593 58.200 0.043 0.000 0.887 339 S CB 2.110 65.369 63.200 0.099 0.000 1.094 339 S HN 0.689 nan 8.310 nan 0.000 0.474 340 D N 1.873 122.327 120.400 0.090 0.000 2.301 340 D HA 0.368 5.025 4.640 0.029 0.000 0.206 340 D C 0.794 176.869 176.300 -0.375 0.000 0.979 340 D CA 1.328 55.336 54.000 0.014 0.000 0.874 340 D CB 0.684 41.536 40.800 0.087 0.000 0.968 340 D HN 0.796 nan 8.370 nan 0.000 0.510 341 G N -1.037 107.271 108.800 -0.820 0.000 2.356 341 G HA2 0.411 4.389 3.960 0.029 0.000 0.294 341 G HA3 0.411 4.389 3.960 0.029 0.000 0.294 341 G C -2.090 171.798 174.900 -1.688 0.000 1.423 341 G CA -0.344 43.727 45.100 -1.715 0.000 0.806 341 G HN 0.049 nan 8.290 nan 0.000 0.527 342 V N -0.764 118.435 119.914 -1.191 0.000 2.971 342 V HA 0.842 4.979 4.120 0.029 0.000 0.309 342 V C -1.123 174.956 176.094 -0.024 0.000 1.130 342 V CA -0.697 61.318 62.300 -0.475 0.000 0.964 342 V CB 1.872 33.643 31.823 -0.086 0.000 1.029 342 V HN 1.514 nan 8.190 nan 0.000 0.427 343 V N 5.937 125.971 119.914 0.200 0.000 2.604 343 V HA 1.037 5.175 4.120 0.029 0.000 0.305 343 V C -0.106 176.087 176.094 0.165 0.000 1.043 343 V CA 0.474 62.905 62.300 0.218 0.000 0.888 343 V CB 1.472 33.417 31.823 0.204 0.000 0.995 343 V HN 1.745 nan 8.190 nan 0.000 0.429 344 A N 6.668 129.511 122.820 0.039 0.000 2.602 344 A HA 0.883 5.220 4.320 0.029 0.000 0.290 344 A C -2.725 174.747 177.584 -0.188 0.000 1.114 344 A CA -0.856 51.129 52.037 -0.086 0.000 0.683 344 A CB 1.757 20.442 19.000 -0.525 0.000 1.281 344 A HN 0.537 nan 8.150 nan 0.000 0.416 345 P HA 0.223 nan 4.420 nan 0.000 0.236 345 P C 0.700 177.910 177.300 -0.151 0.000 1.177 345 P CA 1.556 64.595 63.100 -0.101 0.000 0.773 345 P CB 0.454 32.202 31.700 0.080 0.000 0.878 346 G N -1.489 107.124 108.800 -0.311 0.000 2.322 346 G HA2 0.450 4.428 3.960 0.029 0.000 0.295 346 G HA3 0.450 4.428 3.960 0.029 0.000 0.295 346 G C -2.365 172.188 174.900 -0.579 0.000 1.369 346 G CA -0.656 44.293 45.100 -0.251 0.000 0.821 346 G HN -0.105 nan 8.290 nan 0.000 0.536 347 Y N 0.155 120.451 120.300 -0.006 0.000 2.433 347 Y HA 0.473 5.041 4.550 0.029 0.000 0.337 347 Y C 0.270 176.168 175.900 -0.004 0.000 1.026 347 Y CA -0.862 57.235 58.100 -0.005 0.000 1.037 347 Y CB 2.122 40.575 38.460 -0.011 0.000 1.245 347 Y HN 0.583 nan 8.280 nan 0.000 0.443 348 E N 2.813 123.080 120.200 0.111 0.000 2.413 348 E HA -0.009 4.358 4.350 0.029 0.000 0.263 348 E C 0.445 177.095 176.600 0.084 0.000 1.015 348 E CA -0.176 56.267 56.400 0.072 0.000 0.916 348 E CB 0.782 30.508 29.700 0.044 0.000 0.947 348 E HN 0.635 nan 8.360 nan 0.000 0.440 349 E N 2.464 122.696 120.200 0.053 0.000 2.065 349 E HA -0.307 4.061 4.350 0.029 0.000 0.201 349 E C 1.753 178.370 176.600 0.029 0.000 1.016 349 E CA 1.557 57.979 56.400 0.037 0.000 0.818 349 E CB -0.106 29.607 29.700 0.021 0.000 0.749 349 E HN 0.640 nan 8.360 nan 0.000 0.453 350 E N 0.352 120.568 120.200 0.026 0.000 2.110 350 E HA -0.138 4.229 4.350 0.029 0.000 0.193 350 E C 1.954 178.567 176.600 0.021 0.000 0.988 350 E CA 1.037 57.447 56.400 0.016 0.000 0.804 350 E CB -0.023 29.685 29.700 0.013 0.000 0.745 350 E HN 0.224 nan 8.360 nan 0.000 0.458 351 A N 0.671 123.519 122.820 0.046 0.000 1.929 351 A HA -0.113 4.224 4.320 0.029 0.000 0.216 351 A C 2.073 179.689 177.584 0.053 0.000 1.176 351 A CA 0.994 53.070 52.037 0.064 0.000 0.628 351 A CB -0.480 18.587 19.000 0.111 0.000 0.816 351 A HN 0.378 nan 8.150 nan 0.000 0.444 352 L N -0.334 120.917 121.223 0.046 0.000 2.141 352 L HA -0.041 4.317 4.340 0.029 0.000 0.209 352 L C 2.094 178.926 176.870 -0.063 0.000 1.094 352 L CA 1.979 56.784 54.840 -0.058 0.000 0.763 352 L CB -0.462 41.559 42.059 -0.063 0.000 0.908 352 L HN 0.304 nan 8.230 nan 0.000 0.437 353 K N -0.520 119.862 120.400 -0.031 0.000 2.057 353 K HA -0.112 4.225 4.320 0.029 0.000 0.207 353 K C 2.074 178.649 176.600 -0.042 0.000 1.049 353 K CA 1.829 58.096 56.287 -0.034 0.000 0.931 353 K CB -0.208 32.279 32.500 -0.021 0.000 0.714 353 K HN 0.352 nan 8.250 nan 0.000 0.440 354 I N 1.098 121.645 120.570 -0.038 0.000 2.179 354 I HA -0.302 3.885 4.170 0.029 0.000 0.242 354 I C 2.104 178.168 176.117 -0.089 0.000 1.088 354 I CA 1.248 62.516 61.300 -0.055 0.000 1.357 354 I CB -0.236 37.739 38.000 -0.042 0.000 1.051 354 I HN 0.129 nan 8.210 nan 0.000 0.409 355 L N -0.258 120.914 121.223 -0.084 0.000 2.083 355 L HA -0.165 4.192 4.340 0.029 0.000 0.209 355 L C 2.523 179.358 176.870 -0.058 0.000 1.083 355 L CA 1.059 55.834 54.840 -0.109 0.000 0.752 355 L CB -0.565 41.474 42.059 -0.032 0.000 0.899 355 L HN 0.152 nan 8.230 nan 0.000 0.433 356 S N -0.011 115.659 115.700 -0.050 0.000 2.481 356 S HA -0.110 4.377 4.470 0.029 0.000 0.231 356 S C 1.762 176.349 174.600 -0.022 0.000 0.996 356 S CA 0.958 59.143 58.200 -0.026 0.000 0.942 356 S CB -0.092 63.073 63.200 -0.058 0.000 0.768 356 S HN 0.515 nan 8.310 nan 0.000 0.520 357 K N 1.348 121.718 120.400 -0.050 0.000 2.418 357 K HA 0.130 4.467 4.320 0.029 0.000 0.195 357 K C 0.338 176.899 176.600 -0.066 0.000 1.035 357 K CA 0.295 56.553 56.287 -0.050 0.000 1.003 357 K CB 0.056 32.525 32.500 -0.051 0.000 0.793 357 K HN 0.097 nan 8.250 nan 0.000 0.494 358 K N 1.834 122.165 120.400 -0.116 0.000 2.397 358 K HA 0.013 4.350 4.320 0.029 0.000 0.265 358 K C -0.307 176.270 176.600 -0.038 0.000 0.982 358 K CA 0.237 56.422 56.287 -0.170 0.000 0.931 358 K CB 0.295 32.488 32.500 -0.512 0.000 0.943 358 K HN 0.041 nan 8.250 nan 0.000 0.501 359 K N 1.971 122.349 120.400 -0.035 0.000 3.177 359 K HA -0.313 4.025 4.320 0.029 0.000 0.266 359 K C -0.547 176.064 176.600 0.018 0.000 0.937 359 K CA 0.714 57.011 56.287 0.017 0.000 0.702 359 K CB -1.415 31.133 32.500 0.081 0.000 1.365 359 K HN 0.780 nan 8.250 nan 0.000 0.466 360 N N -0.970 117.728 118.700 -0.003 0.000 2.708 360 N HA -0.249 4.508 4.740 0.029 0.000 0.249 360 N C 0.683 176.195 175.510 0.002 0.000 1.097 360 N CA 2.035 55.084 53.050 -0.003 0.000 0.710 360 N CB -0.960 37.529 38.487 0.003 0.000 1.032 360 N HN 0.866 nan 8.380 nan 0.000 0.551 361 G N -3.354 105.449 108.800 0.005 0.000 2.176 361 G HA2 -0.186 3.792 3.960 0.029 0.000 0.232 361 G HA3 -0.186 3.792 3.960 0.029 0.000 0.232 361 G C 0.826 175.736 174.900 0.017 0.000 0.986 361 G CA 0.309 45.412 45.100 0.005 0.000 0.643 361 G HN 0.886 nan 8.290 nan 0.000 0.522 362 G N -0.629 108.191 108.800 0.033 0.000 3.088 362 G HA2 0.374 4.351 3.960 0.029 0.000 0.217 362 G HA3 0.374 4.351 3.960 0.029 0.000 0.217 362 G C 0.497 175.426 174.900 0.047 0.000 1.159 362 G CA 0.220 45.337 45.100 0.029 0.000 0.760 362 G HN 0.608 nan 8.290 nan 0.000 0.550 363 Y N 0.785 121.042 120.300 -0.072 0.000 2.717 363 Y HA 0.192 4.760 4.550 0.029 0.000 0.330 363 Y C 0.670 176.505 175.900 -0.107 0.000 1.217 363 Y CA -1.285 56.756 58.100 -0.098 0.000 1.506 363 Y CB 0.476 38.863 38.460 -0.122 0.000 1.268 363 Y HN 0.014 nan 8.280 nan 0.000 0.561 364 C N 8.275 127.223 119.300 -0.587 0.000 2.416 364 C HA 0.513 4.991 4.460 0.029 0.000 0.355 364 C C -0.610 174.053 174.990 -0.543 0.000 1.211 364 C CA -0.700 58.063 59.018 -0.425 0.000 1.699 364 C CB -2.343 25.256 27.740 -0.233 0.000 2.310 364 C HN 0.577 nan 8.230 nan 0.000 0.539 365 V N 8.821 128.544 119.914 -0.318 0.000 2.357 365 V HA 0.435 4.573 4.120 0.029 0.000 0.284 365 V C 0.067 176.067 176.094 -0.156 0.000 1.018 365 V CA -0.270 61.858 62.300 -0.288 0.000 0.841 365 V CB 1.115 32.708 31.823 -0.383 0.000 0.991 365 V HN 0.714 nan 8.190 nan 0.000 0.437 366 L N 4.277 125.487 121.223 -0.022 0.000 2.334 366 L HA 0.657 5.015 4.340 0.029 0.000 0.273 366 L C -0.299 176.634 176.870 0.105 0.000 1.013 366 L CA -0.542 54.307 54.840 0.016 0.000 0.816 366 L CB 2.084 44.160 42.059 0.027 0.000 1.278 366 L HN 0.606 nan 8.230 nan 0.000 0.431 367 Q N 2.470 122.283 119.800 0.022 0.000 2.333 367 Q HA 0.554 4.911 4.340 0.029 0.000 0.267 367 Q C -1.247 174.625 176.000 -0.214 0.000 1.012 367 Q CA -0.805 54.994 55.803 -0.006 0.000 0.824 367 Q CB 2.210 30.979 28.738 0.052 0.000 1.290 367 Q HN 0.532 nan 8.270 nan 0.000 0.449 368 M N 3.463 122.822 119.600 -0.401 0.000 2.294 368 M HA 0.290 4.787 4.480 0.029 0.000 0.335 368 M C -1.344 174.652 176.300 -0.507 0.000 1.079 368 M CA -0.603 54.305 55.300 -0.653 0.000 0.982 368 M CB 1.575 33.359 32.600 -1.361 0.000 1.651 368 M HN 0.526 nan 8.290 nan 0.000 0.437 369 D N 6.367 126.568 120.400 -0.333 0.000 2.346 369 D HA 0.193 4.850 4.640 0.029 0.000 0.260 369 D C -1.826 174.459 176.300 -0.024 0.000 1.252 369 D CA -1.666 52.255 54.000 -0.132 0.000 0.895 369 D CB 1.186 41.952 40.800 -0.057 0.000 1.097 369 D HN 0.397 nan 8.370 nan 0.000 0.489 370 P HA -0.050 nan 4.420 nan 0.000 0.226 370 P C 0.231 177.676 177.300 0.241 0.000 1.153 370 P CA 0.860 64.154 63.100 0.324 0.000 0.777 370 P CB 0.181 32.044 31.700 0.273 0.000 0.794 371 N N -2.018 116.774 118.700 0.152 0.000 2.336 371 N HA -0.031 4.727 4.740 0.029 0.000 0.189 371 N C 0.247 175.829 175.510 0.120 0.000 1.113 371 N CA -0.351 52.766 53.050 0.112 0.000 0.858 371 N CB -0.313 38.215 38.487 0.070 0.000 0.970 371 N HN 0.159 nan 8.380 nan 0.000 0.471 372 Y N 2.451 122.776 120.300 0.042 0.000 2.442 372 Y HA 0.073 4.640 4.550 0.029 0.000 0.330 372 Y C -0.322 175.611 175.900 0.055 0.000 1.129 372 Y CA -0.067 58.048 58.100 0.024 0.000 1.365 372 Y CB 0.471 38.921 38.460 -0.018 0.000 1.233 372 Y HN -0.051 nan 8.280 nan 0.000 0.529 373 E N 8.027 127.815 120.200 -0.687 0.000 2.248 373 E HA 0.334 4.701 4.350 0.029 0.000 0.267 373 E C -2.682 173.394 176.600 -0.873 0.000 0.877 373 E CA -2.102 53.960 56.400 -0.565 0.000 0.759 373 E CB 1.734 31.285 29.700 -0.247 0.000 1.182 373 E HN 0.529 nan 8.360 nan 0.000 0.418 374 P HA 0.229 nan 4.420 nan 0.000 0.279 374 P C -0.496 176.717 177.300 -0.146 0.000 1.252 374 P CA -0.510 62.407 63.100 -0.306 0.000 0.811 374 P CB 1.016 32.696 31.700 -0.034 0.000 1.035 375 D N 1.091 121.457 120.400 -0.058 0.000 2.378 375 D HA -0.016 4.641 4.640 0.029 0.000 0.238 375 D C 1.018 177.311 176.300 -0.011 0.000 1.180 375 D CA 0.130 54.114 54.000 -0.027 0.000 0.895 375 D CB 0.374 41.178 40.800 0.006 0.000 1.192 375 D HN 0.315 nan 8.370 nan 0.000 0.438 376 D N -0.021 120.374 120.400 -0.009 0.000 2.178 376 D HA -0.073 4.584 4.640 0.029 0.000 0.202 376 D C 0.223 176.532 176.300 0.015 0.000 0.974 376 D CA 0.935 54.935 54.000 0.001 0.000 0.841 376 D CB 0.098 40.896 40.800 -0.003 0.000 0.953 376 D HN 0.252 nan 8.370 nan 0.000 0.478 377 N N 1.463 120.174 118.700 0.018 0.000 2.498 377 N HA 0.204 4.961 4.740 0.029 0.000 0.287 377 N C -0.243 175.286 175.510 0.033 0.000 1.097 377 N CA -0.091 52.974 53.050 0.025 0.000 0.973 377 N CB 1.427 39.928 38.487 0.022 0.000 1.153 377 N HN 0.220 nan 8.380 nan 0.000 0.472 378 E N 0.943 121.166 120.200 0.038 0.000 2.293 378 E HA 0.569 4.936 4.350 0.029 0.000 0.270 378 E C -0.927 175.699 176.600 0.043 0.000 0.879 378 E CA -0.697 55.728 56.400 0.042 0.000 0.756 378 E CB 1.721 31.452 29.700 0.053 0.000 1.208 378 E HN 0.359 nan 8.360 nan 0.000 0.428 379 I N 2.485 123.080 120.570 0.041 0.000 2.433 379 I HA 0.460 4.647 4.170 0.029 0.000 0.292 379 I C -0.240 175.906 176.117 0.049 0.000 1.001 379 I CA -0.997 60.330 61.300 0.045 0.000 1.119 379 I CB 1.694 39.721 38.000 0.045 0.000 1.289 379 I HN 0.602 nan 8.210 nan 0.000 0.438 380 R N 2.867 123.400 120.500 0.054 0.000 2.750 380 R HA 0.670 5.027 4.340 0.029 0.000 0.281 380 R C -1.314 175.024 176.300 0.063 0.000 0.972 380 R CA -0.646 55.492 56.100 0.062 0.000 0.912 380 R CB 1.723 32.062 30.300 0.066 0.000 1.187 380 R HN 0.376 nan 8.270 nan 0.000 0.464 381 T N 3.732 118.328 114.554 0.069 0.000 2.744 381 T HA 0.311 4.678 4.350 0.029 0.000 0.291 381 T C -1.019 173.725 174.700 0.073 0.000 0.957 381 T CA -0.449 61.691 62.100 0.066 0.000 1.002 381 T CB 0.721 69.629 68.868 0.066 0.000 0.919 381 T HN 0.303 nan 8.240 nan 0.000 0.468 382 L N 5.312 126.582 121.223 0.078 0.000 2.349 382 L HA 0.427 4.784 4.340 0.029 0.000 0.278 382 L C -0.370 176.601 176.870 0.168 0.000 0.996 382 L CA -1.090 53.811 54.840 0.102 0.000 0.825 382 L CB 0.346 42.452 42.059 0.079 0.000 1.243 382 L HN 0.731 nan 8.230 nan 0.000 0.412 383 Y N 5.582 125.887 120.300 0.009 0.000 3.108 383 Y HA -0.191 4.376 4.550 0.028 0.000 0.208 383 Y C 1.379 177.286 175.900 0.011 0.000 1.245 383 Y CA 1.473 59.577 58.100 0.007 0.000 1.171 383 Y CB -1.023 37.438 38.460 0.002 0.000 1.331 383 Y HN 1.023 nan 8.280 nan 0.000 0.534 384 G N -0.587 108.208 108.800 -0.007 0.000 2.220 384 G HA2 -0.325 3.652 3.960 0.029 0.000 0.269 384 G HA3 -0.325 3.652 3.960 0.029 0.000 0.269 384 G C 0.313 175.198 174.900 -0.026 0.000 0.977 384 G CA 0.358 45.422 45.100 -0.060 0.000 0.634 384 G HN 0.657 nan 8.290 nan 0.000 0.539 385 L N -0.315 120.916 121.223 0.012 0.000 2.360 385 L HA 0.682 5.039 4.340 0.029 0.000 0.271 385 L C 0.323 177.218 176.870 0.041 0.000 1.057 385 L CA -1.036 53.819 54.840 0.026 0.000 0.803 385 L CB 1.291 43.376 42.059 0.042 0.000 1.207 385 L HN -0.009 nan 8.230 nan 0.000 0.445 386 Q N 2.200 122.023 119.800 0.037 0.000 2.314 386 Q HA 0.577 4.934 4.340 0.029 0.000 0.259 386 Q C -1.152 174.873 176.000 0.042 0.000 0.951 386 Q CA 0.073 55.901 55.803 0.042 0.000 0.909 386 Q CB 1.723 30.486 28.738 0.041 0.000 1.236 386 Q HN 0.388 nan 8.270 nan 0.000 0.444 387 L N 2.884 124.134 121.223 0.046 0.000 2.313 387 L HA 0.616 4.973 4.340 0.029 0.000 0.283 387 L C -0.515 176.382 176.870 0.045 0.000 1.013 387 L CA -0.457 54.409 54.840 0.044 0.000 0.816 387 L CB 1.309 43.396 42.059 0.046 0.000 1.236 387 L HN 0.504 nan 8.230 nan 0.000 0.419 388 M N 4.564 124.188 119.600 0.041 0.000 2.465 388 M HA 0.515 5.012 4.480 0.029 0.000 0.316 388 M C -1.371 174.953 176.300 0.039 0.000 1.121 388 M CA -0.254 55.070 55.300 0.040 0.000 0.934 388 M CB 2.132 34.753 32.600 0.035 0.000 1.692 388 M HN 0.739 nan 8.290 nan 0.000 0.444 389 Q N 2.296 122.120 119.800 0.041 0.000 2.534 389 Q HA 0.452 4.810 4.340 0.029 0.000 0.290 389 Q C -1.703 174.319 176.000 0.036 0.000 0.991 389 Q CA -1.277 54.549 55.803 0.039 0.000 0.783 389 Q CB 1.755 30.522 28.738 0.048 0.000 1.470 389 Q HN 0.673 nan 8.270 nan 0.000 0.406 390 K N 1.487 121.904 120.400 0.030 0.000 2.350 390 K HA 0.153 4.490 4.320 0.029 0.000 0.279 390 K C -0.034 176.587 176.600 0.034 0.000 1.027 390 K CA -0.445 55.858 56.287 0.026 0.000 0.969 390 K CB 0.737 33.247 32.500 0.016 0.000 0.954 390 K HN 0.690 nan 8.250 nan 0.000 0.474 391 R N 2.486 123.009 120.500 0.038 0.000 2.726 391 R HA 0.045 4.402 4.340 0.029 0.000 0.272 391 R C -0.239 176.084 176.300 0.038 0.000 1.097 391 R CA -0.604 55.527 56.100 0.052 0.000 1.198 391 R CB 0.167 30.504 30.300 0.062 0.000 1.114 391 R HN 0.538 nan 8.270 nan 0.000 0.550 392 N N 1.091 119.817 118.700 0.043 0.000 2.508 392 N HA 0.014 4.772 4.740 0.029 0.000 0.253 392 N C -0.953 174.556 175.510 -0.001 0.000 1.145 392 N CA -0.129 52.924 53.050 0.005 0.000 0.973 392 N CB 0.072 38.543 38.487 -0.026 0.000 1.305 392 N HN 0.498 nan 8.380 nan 0.000 0.506 393 N N 1.291 119.989 118.700 -0.004 0.000 2.279 393 N HA 0.099 4.856 4.740 0.029 0.000 0.226 393 N C -0.354 175.142 175.510 -0.025 0.000 1.126 393 N CA -0.155 52.893 53.050 -0.003 0.000 0.846 393 N CB 0.398 38.883 38.487 -0.003 0.000 1.050 393 N HN 0.499 nan 8.380 nan 0.000 0.502 394 A N 0.561 123.354 122.820 -0.044 0.000 2.548 394 A HA 0.181 4.518 4.320 0.029 0.000 0.247 394 A C 0.465 178.012 177.584 -0.060 0.000 1.067 394 A CA -0.014 51.986 52.037 -0.061 0.000 0.757 394 A CB 0.236 19.187 19.000 -0.081 0.000 0.996 394 A HN 0.035 nan 8.150 nan 0.000 0.504 395 V N 5.053 124.928 119.914 -0.064 0.000 2.432 395 V HA 0.156 4.293 4.120 0.029 0.000 0.271 395 V C 0.188 176.226 176.094 -0.094 0.000 1.046 395 V CA -0.348 61.913 62.300 -0.065 0.000 0.945 395 V CB 0.862 32.647 31.823 -0.064 0.000 0.992 395 V HN 0.645 nan 8.190 nan 0.000 0.471 396 I N 6.204 126.722 120.570 -0.087 0.000 2.304 396 I HA 0.496 4.683 4.170 0.029 0.000 0.291 396 I C -0.146 175.892 176.117 -0.132 0.000 1.018 396 I CA 0.019 61.246 61.300 -0.121 0.000 1.260 396 I CB 0.943 38.900 38.000 -0.072 0.000 1.390 396 I HN 0.878 nan 8.210 nan 0.000 0.475 397 D N 5.043 125.310 120.400 -0.222 0.000 2.838 397 D HA 0.300 4.957 4.640 0.029 0.000 0.334 397 D C 0.630 176.717 176.300 -0.354 0.000 1.315 397 D CA -0.743 53.139 54.000 -0.197 0.000 0.917 397 D CB 0.632 41.360 40.800 -0.120 0.000 1.435 397 D HN 0.231 nan 8.370 nan 0.000 0.517 398 R N -0.125 120.266 120.500 -0.183 0.000 2.139 398 R HA -0.061 4.296 4.340 0.029 0.000 0.243 398 R C 1.698 177.874 176.300 -0.207 0.000 1.145 398 R CA 1.768 57.798 56.100 -0.116 0.000 0.976 398 R CB -0.727 29.578 30.300 0.010 0.000 0.866 398 R HN 0.356 nan 8.270 nan 0.000 0.449 399 S N 1.341 116.920 115.700 -0.202 0.000 2.442 399 S HA -0.072 4.415 4.470 0.029 0.000 0.236 399 S C 1.711 176.167 174.600 -0.239 0.000 1.007 399 S CA 0.631 58.735 58.200 -0.160 0.000 0.965 399 S CB -0.160 62.968 63.200 -0.119 0.000 0.773 399 S HN 0.147 nan 8.310 nan 0.000 0.504 400 L N 0.850 121.792 121.223 -0.470 0.000 2.265 400 L HA 0.074 4.432 4.340 0.029 0.000 0.215 400 L C 0.715 177.356 176.870 -0.382 0.000 1.117 400 L CA 1.556 56.085 54.840 -0.519 0.000 0.782 400 L CB -0.658 40.948 42.059 -0.755 0.000 0.914 400 L HN 0.217 nan 8.230 nan 0.000 0.441 401 F N -1.217 118.715 119.950 -0.030 0.000 2.645 401 F HA 0.214 4.758 4.527 0.029 0.000 0.300 401 F C 1.781 177.566 175.800 -0.024 0.000 1.115 401 F CA -0.362 57.620 58.000 -0.029 0.000 1.355 401 F CB -0.883 38.092 39.000 -0.041 0.000 1.026 401 F HN 0.024 nan 8.300 nan 0.000 0.536 402 K N 0.080 120.531 120.400 0.085 0.000 2.148 402 K HA -0.161 4.177 4.320 0.029 0.000 0.204 402 K C 0.809 177.441 176.600 0.052 0.000 1.050 402 K CA 1.083 57.401 56.287 0.052 0.000 0.942 402 K CB -0.177 32.329 32.500 0.010 0.000 0.724 402 K HN 0.014 nan 8.250 nan 0.000 0.446 403 N N 1.606 120.341 118.700 0.059 0.000 3.188 403 N HA 0.117 4.874 4.740 0.029 0.000 0.279 403 N C -1.138 174.402 175.510 0.051 0.000 1.213 403 N CA -0.103 52.977 53.050 0.050 0.000 1.138 403 N CB -0.145 38.373 38.487 0.051 0.000 1.417 403 N HN 0.031 nan 8.380 nan 0.000 0.526 404 I N 2.128 122.720 120.570 0.036 0.000 2.379 404 I HA 0.005 4.192 4.170 0.029 0.000 0.290 404 I C 1.396 177.509 176.117 -0.007 0.000 1.063 404 I CA -0.470 60.838 61.300 0.014 0.000 1.351 404 I CB 1.101 39.111 38.000 0.017 0.000 1.410 404 I HN 0.249 nan 8.210 nan 0.000 0.505 405 V N 1.527 121.415 119.914 -0.044 0.000 3.650 405 V HA 0.069 4.206 4.120 0.029 0.000 0.271 405 V C 0.980 177.042 176.094 -0.053 0.000 1.281 405 V CA 0.113 62.383 62.300 -0.049 0.000 1.120 405 V CB -0.865 30.907 31.823 -0.085 0.000 0.856 405 V HN 0.771 nan 8.190 nan 0.000 0.443 406 T N -2.056 112.466 114.554 -0.053 0.000 2.881 406 T HA 0.380 4.747 4.350 0.029 0.000 0.278 406 T C 0.814 175.503 174.700 -0.019 0.000 0.982 406 T CA -0.479 61.598 62.100 -0.038 0.000 0.989 406 T CB 1.703 70.547 68.868 -0.040 0.000 1.058 406 T HN 0.226 nan 8.240 nan 0.000 0.529 407 K N 0.544 120.934 120.400 -0.016 0.000 2.057 407 K HA -0.015 4.322 4.320 0.029 0.000 0.206 407 K C 0.504 177.100 176.600 -0.006 0.000 1.050 407 K CA 0.727 57.008 56.287 -0.009 0.000 0.935 407 K CB -0.220 32.274 32.500 -0.010 0.000 0.715 407 K HN 0.546 nan 8.250 nan 0.000 0.439 408 N N 2.334 121.030 118.700 -0.008 0.000 2.468 408 N HA -0.009 4.748 4.740 0.029 0.000 0.265 408 N C 0.373 175.891 175.510 0.014 0.000 1.199 408 N CA 0.351 53.402 53.050 0.001 0.000 0.928 408 N CB 0.909 39.392 38.487 -0.006 0.000 1.059 408 N HN 0.055 nan 8.380 nan 0.000 0.467 409 K N 0.368 120.781 120.400 0.021 0.000 2.374 409 K HA 0.087 4.425 4.320 0.029 0.000 0.202 409 K C 0.034 176.658 176.600 0.041 0.000 1.040 409 K CA -0.023 56.279 56.287 0.025 0.000 1.085 409 K CB 0.122 32.631 32.500 0.014 0.000 0.873 409 K HN 0.400 nan 8.250 nan 0.000 0.539 410 T N 2.439 117.035 114.554 0.070 0.000 2.822 410 T HA 0.044 4.412 4.350 0.029 0.000 0.288 410 T C -0.088 174.682 174.700 0.117 0.000 0.991 410 T CA 0.427 62.590 62.100 0.104 0.000 1.176 410 T CB 0.137 69.098 68.868 0.154 0.000 0.951 410 T HN -0.002 nan 8.240 nan 0.000 0.526 411 L N 7.041 128.246 121.223 -0.030 0.000 2.487 411 L HA 0.346 4.703 4.340 0.029 0.000 0.261 411 L C -2.337 174.391 176.870 -0.238 0.000 1.223 411 L CA -1.335 53.369 54.840 -0.225 0.000 0.883 411 L CB 1.157 43.114 42.059 -0.170 0.000 1.065 411 L HN 0.415 nan 8.230 nan 0.000 0.488 412 P HA 0.270 nan 4.420 nan 0.000 0.276 412 P C 0.425 177.597 177.300 -0.214 0.000 1.252 412 P CA -0.257 62.731 63.100 -0.186 0.000 0.802 412 P CB 1.039 32.654 31.700 -0.140 0.000 1.035 413 E N 0.427 120.551 120.200 -0.126 0.000 2.171 413 E HA -0.166 4.202 4.350 0.029 0.000 0.197 413 E C 1.814 178.337 176.600 -0.129 0.000 0.997 413 E CA 1.918 58.256 56.400 -0.104 0.000 0.810 413 E CB -0.613 29.054 29.700 -0.055 0.000 0.738 413 E HN 0.603 nan 8.360 nan 0.000 0.467 414 S N 0.546 116.163 115.700 -0.139 0.000 2.383 414 S HA -0.037 4.451 4.470 0.029 0.000 0.227 414 S C 2.197 176.676 174.600 -0.202 0.000 1.026 414 S CA 1.064 59.192 58.200 -0.120 0.000 0.981 414 S CB -0.134 63.023 63.200 -0.071 0.000 0.818 414 S HN 0.280 nan 8.310 nan 0.000 0.472 415 A N 1.635 124.216 122.820 -0.399 0.000 1.897 415 A HA 0.163 4.500 4.320 0.029 0.000 0.215 415 A C 2.407 179.703 177.584 -0.480 0.000 1.181 415 A CA 1.302 52.953 52.037 -0.643 0.000 0.620 415 A CB -1.098 16.973 19.000 -1.548 0.000 0.821 415 A HN 0.410 nan 8.150 nan 0.000 0.443 416 V N 0.561 120.240 119.914 -0.392 0.000 2.282 416 V HA -0.314 3.823 4.120 0.029 0.000 0.249 416 V C 2.687 178.723 176.094 -0.096 0.000 1.057 416 V CA 2.466 64.614 62.300 -0.255 0.000 1.032 416 V CB -0.868 30.914 31.823 -0.068 0.000 0.645 416 V HN 0.683 nan 8.190 nan 0.000 0.447 417 R N 0.082 120.532 120.500 -0.083 0.000 2.080 417 R HA -0.208 4.150 4.340 0.029 0.000 0.236 417 R C 2.071 178.355 176.300 -0.027 0.000 1.137 417 R CA 2.326 58.410 56.100 -0.027 0.000 0.943 417 R CB -0.493 29.789 30.300 -0.029 0.000 0.846 417 R HN 0.504 nan 8.270 nan 0.000 0.431 418 D N 0.663 121.021 120.400 -0.070 0.000 2.144 418 D HA -0.143 4.514 4.640 0.029 0.000 0.199 418 D C 2.020 178.295 176.300 -0.042 0.000 0.984 418 D CA 1.029 55.001 54.000 -0.048 0.000 0.834 418 D CB -0.163 40.609 40.800 -0.047 0.000 0.955 418 D HN 0.295 nan 8.370 nan 0.000 0.465 419 L N 0.201 121.360 121.223 -0.106 0.000 2.141 419 L HA -0.065 4.292 4.340 0.029 0.000 0.209 419 L C 2.411 179.359 176.870 0.130 0.000 1.094 419 L CA 0.474 55.264 54.840 -0.084 0.000 0.763 419 L CB -0.136 41.655 42.059 -0.446 0.000 0.908 419 L HN 0.013 nan 8.230 nan 0.000 0.437 420 I N -1.145 119.532 120.570 0.178 0.000 2.252 420 I HA -0.236 3.952 4.170 0.029 0.000 0.245 420 I C 2.395 178.570 176.117 0.097 0.000 1.102 420 I CA 0.840 62.256 61.300 0.194 0.000 1.385 420 I CB -0.081 38.016 38.000 0.161 0.000 1.064 420 I HN -0.015 nan 8.210 nan 0.000 0.414 421 V N 1.002 120.954 119.914 0.063 0.000 2.261 421 V HA -0.315 3.823 4.120 0.029 0.000 0.246 421 V C 2.707 178.831 176.094 0.050 0.000 1.047 421 V CA 2.101 64.429 62.300 0.047 0.000 1.015 421 V CB -1.023 30.817 31.823 0.027 0.000 0.642 421 V HN 0.496 nan 8.190 nan 0.000 0.446 422 A N -0.564 122.280 122.820 0.040 0.000 1.908 422 A HA -0.220 4.117 4.320 0.029 0.000 0.218 422 A C 2.477 180.088 177.584 0.044 0.000 1.181 422 A CA 2.411 54.469 52.037 0.034 0.000 0.627 422 A CB -0.680 18.328 19.000 0.013 0.000 0.818 422 A HN 0.517 nan 8.150 nan 0.000 0.445 423 S N -0.393 115.344 115.700 0.062 0.000 2.371 423 S HA -0.026 4.462 4.470 0.029 0.000 0.224 423 S C 1.804 176.420 174.600 0.028 0.000 1.029 423 S CA 1.262 59.491 58.200 0.048 0.000 0.978 423 S CB -0.416 62.836 63.200 0.085 0.000 0.833 423 S HN 0.536 nan 8.310 nan 0.000 0.466 424 I N 1.695 122.298 120.570 0.055 0.000 2.315 424 I HA -0.184 4.003 4.170 0.029 0.000 0.248 424 I C 2.658 178.857 176.117 0.138 0.000 1.117 424 I CA 1.008 62.359 61.300 0.086 0.000 1.404 424 I CB -0.442 37.620 38.000 0.102 0.000 1.071 424 I HN 0.258 nan 8.210 nan 0.000 0.419 425 A N 0.278 123.167 122.820 0.115 0.000 1.902 425 A HA -0.148 4.190 4.320 0.029 0.000 0.217 425 A C 2.454 180.093 177.584 0.093 0.000 1.181 425 A CA 1.500 53.618 52.037 0.136 0.000 0.623 425 A CB -0.924 18.133 19.000 0.094 0.000 0.818 425 A HN 0.231 nan 8.150 nan 0.000 0.443 426 V N 0.277 120.216 119.914 0.042 0.000 2.407 426 V HA -0.258 3.879 4.120 0.029 0.000 0.248 426 V C 2.546 178.607 176.094 -0.055 0.000 1.055 426 V CA 2.363 64.671 62.300 0.013 0.000 1.049 426 V CB -0.525 31.301 31.823 0.005 0.000 0.662 426 V HN 0.706 nan 8.190 nan 0.000 0.455 427 K N -0.754 119.558 120.400 -0.146 0.000 2.152 427 K HA -0.190 4.147 4.320 0.029 0.000 0.206 427 K C 1.173 177.332 176.600 -0.735 0.000 1.048 427 K CA 1.728 57.769 56.287 -0.411 0.000 0.933 427 K CB -0.107 32.083 32.500 -0.517 0.000 0.721 427 K HN 0.574 nan 8.250 nan 0.000 0.447 428 Y N 0.296 120.510 120.300 -0.143 0.000 2.708 428 Y HA 0.207 4.774 4.550 0.029 0.000 0.287 428 Y C -0.289 175.645 175.900 0.057 0.000 1.145 428 Y CA -0.219 57.757 58.100 -0.206 0.000 1.249 428 Y CB 0.866 39.349 38.460 0.039 0.000 1.152 428 Y HN -0.199 nan 8.280 nan 0.000 0.532 429 T N 1.627 116.265 114.554 0.140 0.000 2.797 429 T HA 0.222 4.589 4.350 0.029 0.000 0.279 429 T C -0.181 174.652 174.700 0.222 0.000 0.991 429 T CA -0.878 61.322 62.100 0.166 0.000 0.979 429 T CB 1.052 69.963 68.868 0.072 0.000 0.943 429 T HN -0.060 nan 8.240 nan 0.000 0.444 430 Q N 2.068 121.982 119.800 0.191 0.000 2.304 430 Q HA 0.145 4.503 4.340 0.029 0.000 0.301 430 Q C 0.325 176.298 176.000 -0.045 0.000 1.063 430 Q CA 0.385 56.212 55.803 0.039 0.000 0.947 430 Q CB 0.334 29.108 28.738 0.060 0.000 1.201 430 Q HN 0.600 nan 8.270 nan 0.000 0.389 431 S N 2.172 117.708 115.700 -0.274 0.000 2.632 431 S HA 0.220 4.708 4.470 0.029 0.000 0.267 431 S C 0.439 174.997 174.600 -0.070 0.000 1.276 431 S CA -0.844 57.220 58.200 -0.228 0.000 0.998 431 S CB 0.544 63.453 63.200 -0.485 0.000 0.953 431 S HN 0.702 nan 8.310 nan 0.000 0.547 432 N N 0.224 118.896 118.700 -0.047 0.000 2.424 432 N HA 0.394 5.151 4.740 0.029 0.000 0.257 432 N C -0.923 174.615 175.510 0.047 0.000 1.250 432 N CA -0.452 52.586 53.050 -0.021 0.000 0.946 432 N CB 0.320 38.817 38.487 0.016 0.000 1.175 432 N HN 0.489 nan 8.380 nan 0.000 0.477 433 S N -1.384 114.368 115.700 0.087 0.000 2.550 433 S HA 0.721 5.208 4.470 0.029 0.000 0.270 433 S C -1.203 173.456 174.600 0.097 0.000 1.145 433 S CA -0.887 57.366 58.200 0.088 0.000 0.852 433 S CB 1.337 64.578 63.200 0.070 0.000 1.119 433 S HN 0.493 nan 8.310 nan 0.000 0.465 434 V N 0.490 120.467 119.914 0.105 0.000 2.932 434 V HA 0.709 4.846 4.120 0.029 0.000 0.307 434 V C -1.032 175.122 176.094 0.100 0.000 1.147 434 V CA -0.634 61.726 62.300 0.099 0.000 0.951 434 V CB 1.822 33.736 31.823 0.151 0.000 1.031 434 V HN 1.220 nan 8.190 nan 0.000 0.426 435 C N 4.690 124.013 119.300 0.038 0.000 2.535 435 C HA 0.768 5.245 4.460 0.029 0.000 0.319 435 C C -1.268 173.719 174.990 -0.004 0.000 1.171 435 C CA -0.592 58.471 59.018 0.074 0.000 1.394 435 C CB 0.743 28.513 27.740 0.051 0.000 1.990 435 C HN 0.793 nan 8.230 nan 0.000 0.466 436 Y N 3.507 123.808 120.300 0.003 0.000 2.342 436 Y HA 0.664 5.231 4.550 0.029 0.000 0.334 436 Y C 0.618 176.471 175.900 -0.078 0.000 1.067 436 Y CA 0.039 58.124 58.100 -0.024 0.000 1.128 436 Y CB 1.574 40.017 38.460 -0.029 0.000 1.200 436 Y HN 0.944 nan 8.280 nan 0.000 0.464 437 A N 3.193 126.041 122.820 0.045 0.000 2.498 437 A HA 0.912 5.249 4.320 0.029 0.000 0.298 437 A C -1.330 176.219 177.584 -0.059 0.000 1.075 437 A CA -0.858 51.154 52.037 -0.041 0.000 0.714 437 A CB 2.094 21.080 19.000 -0.024 0.000 1.299 437 A HN 0.636 nan 8.150 nan 0.000 0.407 438 K N 0.739 121.071 120.400 -0.113 0.000 2.572 438 K HA 0.486 4.823 4.320 0.029 0.000 0.263 438 K C -1.391 175.192 176.600 -0.028 0.000 0.932 438 K CA -0.016 56.230 56.287 -0.068 0.000 0.838 438 K CB 1.085 33.519 32.500 -0.109 0.000 1.366 438 K HN 0.563 nan 8.250 nan 0.000 0.425 439 D N 3.020 123.441 120.400 0.034 0.000 2.751 439 D HA -0.164 4.493 4.640 0.029 0.000 0.233 439 D C 0.595 176.930 176.300 0.058 0.000 1.149 439 D CA 2.337 56.383 54.000 0.076 0.000 0.682 439 D CB -1.257 39.642 40.800 0.165 0.000 1.068 439 D HN 1.184 nan 8.370 nan 0.000 0.429 440 G N -0.299 108.515 108.800 0.024 0.000 2.148 440 G HA2 -0.307 3.670 3.960 0.029 0.000 0.254 440 G HA3 -0.307 3.670 3.960 0.029 0.000 0.254 440 G C 0.123 175.035 174.900 0.019 0.000 0.981 440 G CA 1.057 46.171 45.100 0.023 0.000 0.670 440 G HN 0.827 nan 8.290 nan 0.000 0.528 441 Q N -1.362 118.432 119.800 -0.011 0.000 2.456 441 Q HA 0.736 5.093 4.340 0.029 0.000 0.284 441 Q C -0.482 175.460 176.000 -0.098 0.000 1.061 441 Q CA -1.203 54.582 55.803 -0.031 0.000 0.799 441 Q CB 2.063 30.793 28.738 -0.014 0.000 1.445 441 Q HN 0.335 nan 8.270 nan 0.000 0.411 442 V N 2.967 122.837 119.914 -0.074 0.000 2.585 442 V HA 0.020 4.157 4.120 0.029 0.000 0.296 442 V C 0.993 176.937 176.094 -0.250 0.000 1.035 442 V CA 0.577 62.821 62.300 -0.095 0.000 1.084 442 V CB 0.277 32.084 31.823 -0.027 0.000 0.953 442 V HN 0.847 nan 8.190 nan 0.000 0.483 443 I N 1.580 121.957 120.570 -0.323 0.000 4.323 443 I HA 0.639 4.827 4.170 0.029 0.000 0.328 443 I C 0.782 176.786 176.117 -0.188 0.000 1.310 443 I CA 0.247 61.194 61.300 -0.588 0.000 1.186 443 I CB 0.843 38.210 38.000 -1.056 0.000 1.130 443 I HN 0.610 nan 8.210 nan 0.000 0.411 444 G N 2.207 110.986 108.800 -0.035 0.000 2.734 444 G HA2 0.645 4.623 3.960 0.029 0.000 0.293 444 G HA3 0.645 4.623 3.960 0.029 0.000 0.293 444 G C -1.865 173.128 174.900 0.154 0.000 1.422 444 G CA -0.313 44.809 45.100 0.037 0.000 1.177 444 G HN 0.153 nan 8.290 nan 0.000 0.565 445 I N 1.495 122.136 120.570 0.118 0.000 2.686 445 I HA 0.805 4.993 4.170 0.029 0.000 0.295 445 I C 0.063 176.248 176.117 0.114 0.000 1.114 445 I CA -0.822 60.555 61.300 0.127 0.000 1.038 445 I CB 2.333 40.379 38.000 0.076 0.000 1.238 445 I HN 0.669 nan 8.210 nan 0.000 0.420 446 G N 5.045 113.919 108.800 0.124 0.000 2.513 446 G HA2 0.820 4.797 3.960 0.029 0.000 0.317 446 G HA3 0.820 4.797 3.960 0.029 0.000 0.317 446 G C -1.652 173.299 174.900 0.086 0.000 1.277 446 G CA -0.474 44.691 45.100 0.108 0.000 0.955 446 G HN 0.829 nan 8.290 nan 0.000 0.484 447 A N 0.476 123.338 122.820 0.071 0.000 2.475 447 A HA 0.826 5.163 4.320 0.029 0.000 0.301 447 A C 0.857 178.474 177.584 0.055 0.000 1.059 447 A CA 0.193 52.266 52.037 0.058 0.000 0.710 447 A CB 1.348 20.378 19.000 0.051 0.000 1.288 447 A HN 2.526 nan 8.150 nan 0.000 0.408 448 G N 0.522 109.351 108.800 0.048 0.000 2.203 448 G HA2 -0.205 3.772 3.960 0.029 0.000 0.263 448 G HA3 -0.205 3.772 3.960 0.029 0.000 0.263 448 G C 0.198 175.124 174.900 0.043 0.000 1.012 448 G CA 0.753 45.885 45.100 0.054 0.000 0.749 448 G HN 0.794 nan 8.290 nan 0.000 0.512 449 Q N -0.972 118.854 119.800 0.044 0.000 2.237 449 Q HA 0.521 4.878 4.340 0.029 0.000 0.219 449 Q C 1.251 177.268 176.000 0.028 0.000 0.999 449 Q CA -0.126 55.704 55.803 0.045 0.000 0.959 449 Q CB 0.527 29.311 28.738 0.077 0.000 1.173 449 Q HN 0.617 nan 8.270 nan 0.000 0.527 450 Q N -0.584 119.233 119.800 0.028 0.000 2.140 450 Q HA 0.233 4.590 4.340 0.029 0.000 0.227 450 Q C -0.376 175.649 176.000 0.041 0.000 0.798 450 Q CA -0.071 55.738 55.803 0.010 0.000 0.987 450 Q CB 1.364 30.093 28.738 -0.015 0.000 1.161 450 Q HN 0.443 nan 8.270 nan 0.000 0.480 451 S N -0.353 115.404 115.700 0.095 0.000 2.572 451 S HA 0.409 4.896 4.470 0.029 0.000 0.274 451 S C -0.107 174.611 174.600 0.196 0.000 1.150 451 S CA -0.584 57.719 58.200 0.172 0.000 0.944 451 S CB 1.817 65.187 63.200 0.283 0.000 1.071 451 S HN 0.154 nan 8.310 nan 0.000 0.479 452 R N 3.036 123.646 120.500 0.183 0.000 2.070 452 R HA 0.045 4.402 4.340 0.029 0.000 0.233 452 R C 1.915 178.314 176.300 0.166 0.000 1.137 452 R CA 2.171 58.384 56.100 0.189 0.000 0.945 452 R CB -0.974 29.459 30.300 0.222 0.000 0.845 452 R HN 0.724 nan 8.270 nan 0.000 0.430 453 I N 0.565 121.205 120.570 0.116 0.000 2.264 453 I HA -0.222 3.965 4.170 0.029 0.000 0.248 453 I C 1.404 177.476 176.117 -0.075 0.000 1.111 453 I CA 1.783 63.069 61.300 -0.023 0.000 1.382 453 I CB -0.618 37.319 38.000 -0.104 0.000 1.060 453 I HN 0.299 nan 8.210 nan 0.000 0.418 454 H N -1.537 117.575 119.070 0.069 0.000 2.423 454 H HA -0.148 4.425 4.556 0.029 0.000 0.297 454 H C 2.477 177.849 175.328 0.074 0.000 1.075 454 H CA 1.852 57.935 56.048 0.060 0.000 1.342 454 H CB -0.660 29.131 29.762 0.048 0.000 1.395 454 H HN 0.456 nan 8.280 nan 0.000 0.530 455 C N 0.198 119.612 119.300 0.189 0.000 2.453 455 C HA -0.152 4.325 4.460 0.029 0.000 0.277 455 C C 2.746 177.840 174.990 0.173 0.000 1.262 455 C CA 1.639 60.755 59.018 0.163 0.000 1.718 455 C CB -0.933 26.900 27.740 0.154 0.000 2.031 455 C HN 0.587 nan 8.230 nan 0.000 0.480 456 T N 0.457 115.109 114.554 0.163 0.000 2.720 456 T HA -0.172 4.195 4.350 0.029 0.000 0.268 456 T C 1.918 176.734 174.700 0.193 0.000 1.037 456 T CA 1.548 63.759 62.100 0.186 0.000 1.144 456 T CB -0.286 68.619 68.868 0.062 0.000 0.864 456 T HN 0.615 nan 8.240 nan 0.000 0.444 457 R N 0.361 120.918 120.500 0.096 0.000 2.092 457 R HA 0.123 4.480 4.340 0.029 0.000 0.231 457 R C 2.539 178.882 176.300 0.072 0.000 1.119 457 R CA 0.852 56.989 56.100 0.061 0.000 0.970 457 R CB -0.512 29.794 30.300 0.009 0.000 0.864 457 R HN 0.342 nan 8.270 nan 0.000 0.440 458 L N 0.443 121.726 121.223 0.101 0.000 2.027 458 L HA -0.104 4.253 4.340 0.029 0.000 0.206 458 L C 2.320 179.239 176.870 0.082 0.000 1.074 458 L CA 1.593 56.488 54.840 0.092 0.000 0.745 458 L CB -0.323 41.801 42.059 0.108 0.000 0.898 458 L HN 0.187 nan 8.230 nan 0.000 0.433 459 A N -0.194 122.706 122.820 0.133 0.000 1.929 459 A HA -0.044 4.294 4.320 0.029 0.000 0.216 459 A C 2.274 179.793 177.584 -0.110 0.000 1.176 459 A CA 1.243 53.365 52.037 0.142 0.000 0.628 459 A CB -1.287 17.926 19.000 0.355 0.000 0.816 459 A HN 0.545 nan 8.150 nan 0.000 0.444 460 G N 0.071 108.781 108.800 -0.151 0.000 2.446 460 G HA2 -0.256 3.721 3.960 0.029 0.000 0.217 460 G HA3 -0.256 3.721 3.960 0.029 0.000 0.217 460 G C 1.095 175.855 174.900 -0.234 0.000 1.168 460 G CA 1.248 46.074 45.100 -0.457 0.000 0.771 460 G HN 0.451 nan 8.290 nan 0.000 0.551 461 D N 0.541 120.898 120.400 -0.071 0.000 2.178 461 D HA -0.026 4.631 4.640 0.029 0.000 0.202 461 D C 2.463 178.775 176.300 0.020 0.000 0.974 461 D CA 0.756 54.752 54.000 -0.008 0.000 0.841 461 D CB -0.101 40.713 40.800 0.023 0.000 0.953 461 D HN 0.321 nan 8.370 nan 0.000 0.478 462 K N 0.630 121.035 120.400 0.009 0.000 2.097 462 K HA 0.013 4.350 4.320 0.029 0.000 0.205 462 K C 2.117 178.776 176.600 0.099 0.000 1.050 462 K CA 1.037 57.363 56.287 0.065 0.000 0.938 462 K CB -0.023 32.515 32.500 0.064 0.000 0.718 462 K HN 0.011 nan 8.250 nan 0.000 0.442 463 A N 1.726 124.525 122.820 -0.035 0.000 1.933 463 A HA -0.208 4.129 4.320 0.029 0.000 0.218 463 A C 1.737 179.455 177.584 0.223 0.000 1.175 463 A CA 1.633 53.686 52.037 0.026 0.000 0.628 463 A CB -0.706 18.097 19.000 -0.328 0.000 0.814 463 A HN 0.355 nan 8.150 nan 0.000 0.444 464 N N -0.117 118.662 118.700 0.132 0.000 2.061 464 N HA -0.148 4.610 4.740 0.029 0.000 0.193 464 N C 1.938 177.635 175.510 0.313 0.000 1.030 464 N CA 1.529 54.715 53.050 0.227 0.000 0.856 464 N CB -0.135 38.433 38.487 0.136 0.000 1.023 464 N HN 0.443 nan 8.380 nan 0.000 0.424 465 S N 0.038 115.890 115.700 0.254 0.000 2.368 465 S HA -0.155 4.332 4.470 0.029 0.000 0.225 465 S C 1.395 176.194 174.600 0.330 0.000 1.030 465 S CA 0.834 59.183 58.200 0.248 0.000 0.999 465 S CB -0.341 62.977 63.200 0.196 0.000 0.844 465 S HN 0.518 nan 8.310 nan 0.000 0.459 466 W N 1.392 122.834 121.300 0.237 0.000 2.355 466 W HA -0.100 4.577 4.660 0.029 0.000 0.309 466 W C 2.159 178.995 176.519 0.528 0.000 1.206 466 W CA 1.180 58.710 57.345 0.308 0.000 1.284 466 W CB -0.515 29.104 29.460 0.265 0.000 1.145 466 W HN 0.387 nan 8.180 nan 0.000 0.502 467 W N 0.775 122.308 121.300 0.388 0.000 2.355 467 W HA -0.235 4.442 4.660 0.029 0.000 0.309 467 W C 1.917 178.705 176.519 0.448 0.000 1.206 467 W CA 1.538 59.019 57.345 0.226 0.000 1.284 467 W CB -0.670 28.951 29.460 0.268 0.000 1.145 467 W HN -0.144 nan 8.180 nan 0.000 0.502 468 L N 0.759 122.165 121.223 0.304 0.000 2.189 468 L HA -0.243 4.114 4.340 0.029 0.000 0.214 468 L C 2.521 179.358 176.870 -0.055 0.000 1.097 468 L CA 1.403 56.295 54.840 0.086 0.000 0.764 468 L CB -0.763 41.371 42.059 0.126 0.000 0.900 468 L HN -0.048 nan 8.230 nan 0.000 0.436 469 R N -1.201 119.301 120.500 0.003 0.000 2.285 469 R HA -0.114 4.243 4.340 0.029 0.000 0.213 469 R C 1.571 177.705 176.300 -0.277 0.000 1.068 469 R CA 0.647 56.678 56.100 -0.115 0.000 1.004 469 R CB -0.177 30.048 30.300 -0.125 0.000 0.873 469 R HN 0.452 nan 8.270 nan 0.000 0.467 470 H N -1.809 117.050 119.070 -0.351 0.000 2.553 470 H HA 0.063 4.636 4.556 0.029 0.000 0.265 470 H C 0.237 175.264 175.328 -0.502 0.000 0.964 470 H CA -0.010 55.815 56.048 -0.372 0.000 1.156 470 H CB 0.003 29.497 29.762 -0.446 0.000 1.411 470 H HN 0.090 nan 8.280 nan 0.000 0.558 471 H N 2.041 120.634 119.070 -0.795 0.000 3.034 471 H HA -0.052 4.521 4.556 0.029 0.000 0.324 471 H C -1.592 173.313 175.328 -0.704 0.000 1.015 471 H CA -1.348 53.895 56.048 -1.342 0.000 1.429 471 H CB 1.204 30.237 29.762 -1.215 0.000 1.429 471 H HN 0.128 nan 8.280 nan 0.000 0.585 472 P HA -0.198 nan 4.420 nan 0.000 0.217 472 P C 1.570 178.796 177.300 -0.123 0.000 1.151 472 P CA 1.641 64.546 63.100 -0.325 0.000 0.849 472 P CB 0.035 31.530 31.700 -0.342 0.000 0.787 473 R N -0.506 120.065 120.500 0.118 0.000 2.148 473 R HA -0.064 4.293 4.340 0.029 0.000 0.227 473 R C 1.792 178.000 176.300 -0.153 0.000 1.103 473 R CA 0.982 57.076 56.100 -0.010 0.000 0.983 473 R CB -0.429 29.855 30.300 -0.027 0.000 0.874 473 R HN 0.075 nan 8.270 nan 0.000 0.451 474 V N 0.811 120.627 119.914 -0.164 0.000 2.407 474 V HA -0.156 3.981 4.120 0.029 0.000 0.245 474 V C 2.142 178.149 176.094 -0.145 0.000 1.041 474 V CA 1.195 63.370 62.300 -0.209 0.000 1.040 474 V CB -0.210 31.517 31.823 -0.161 0.000 0.671 474 V HN 0.313 nan 8.190 nan 0.000 0.455 475 L N 0.158 121.290 121.223 -0.152 0.000 2.265 475 L HA -0.106 4.251 4.340 0.029 0.000 0.215 475 L C 2.123 178.926 176.870 -0.111 0.000 1.117 475 L CA 1.319 56.078 54.840 -0.136 0.000 0.782 475 L CB -0.498 41.469 42.059 -0.154 0.000 0.914 475 L HN 0.321 nan 8.230 nan 0.000 0.441 476 S N -1.152 114.481 115.700 -0.112 0.000 2.575 476 S HA 0.204 4.691 4.470 0.029 0.000 0.215 476 S C 0.830 175.373 174.600 -0.095 0.000 0.966 476 S CA -0.128 58.014 58.200 -0.097 0.000 0.911 476 S CB -0.038 63.105 63.200 -0.095 0.000 0.780 476 S HN 0.227 nan 8.310 nan 0.000 0.514 477 M N 2.069 121.608 119.600 -0.102 0.000 2.248 477 M HA 0.024 4.521 4.480 0.029 0.000 0.343 477 M C -0.214 176.031 176.300 -0.092 0.000 1.243 477 M CA 0.610 55.830 55.300 -0.133 0.000 1.025 477 M CB 0.026 32.540 32.600 -0.142 0.000 1.759 477 M HN -0.206 nan 8.290 nan 0.000 0.452 478 K N 3.842 124.168 120.400 -0.123 0.000 2.414 478 K HA 0.420 4.758 4.320 0.029 0.000 0.251 478 K C -1.219 175.279 176.600 -0.171 0.000 1.037 478 K CA 0.053 56.293 56.287 -0.079 0.000 0.980 478 K CB 0.318 32.784 32.500 -0.057 0.000 1.280 478 K HN 0.275 nan 8.250 nan 0.000 0.451 479 F N 1.220 121.058 119.950 -0.187 0.000 2.380 479 F HA 0.315 4.859 4.527 0.029 0.000 0.325 479 F C 1.231 176.894 175.800 -0.229 0.000 1.136 479 F CA -0.362 57.413 58.000 -0.375 0.000 1.171 479 F CB 0.787 39.529 39.000 -0.429 0.000 1.230 479 F HN 0.110 nan 8.300 nan 0.000 0.554 480 K N 1.023 121.395 120.400 -0.047 0.000 2.168 480 K HA 0.506 4.843 4.320 0.029 0.000 0.258 480 K C -0.273 176.310 176.600 -0.027 0.000 1.010 480 K CA -0.648 55.616 56.287 -0.039 0.000 0.929 480 K CB 0.730 33.199 32.500 -0.052 0.000 0.998 480 K HN 0.686 nan 8.250 nan 0.000 0.479 481 A N 0.721 123.525 122.820 -0.026 0.000 2.440 481 A HA 0.433 4.770 4.320 0.029 0.000 0.251 481 A C 1.057 178.620 177.584 -0.034 0.000 1.089 481 A CA 0.689 52.710 52.037 -0.028 0.000 0.779 481 A CB -0.304 18.683 19.000 -0.021 0.000 1.022 481 A HN 0.895 nan 8.150 nan 0.000 0.492 482 G N 0.750 109.526 108.800 -0.040 0.000 2.176 482 G HA2 -0.145 3.832 3.960 0.029 0.000 0.232 482 G HA3 -0.145 3.832 3.960 0.029 0.000 0.232 482 G C 0.133 175.001 174.900 -0.053 0.000 0.986 482 G CA 0.020 45.096 45.100 -0.040 0.000 0.643 482 G HN 1.338 nan 8.290 nan 0.000 0.522 483 V N 1.637 121.506 119.914 -0.076 0.000 2.461 483 V HA 0.455 4.592 4.120 0.029 0.000 0.275 483 V C 0.946 176.961 176.094 -0.132 0.000 1.047 483 V CA -0.244 61.991 62.300 -0.108 0.000 0.955 483 V CB 1.337 33.075 31.823 -0.142 0.000 0.988 483 V HN 0.359 nan 8.190 nan 0.000 0.471 484 K N 3.787 124.123 120.400 -0.106 0.000 2.132 484 K HA 0.312 4.650 4.320 0.029 0.000 0.240 484 K C 1.456 177.978 176.600 -0.130 0.000 1.036 484 K CA -0.380 55.853 56.287 -0.090 0.000 0.888 484 K CB 0.390 32.867 32.500 -0.038 0.000 1.071 484 K HN 0.457 nan 8.250 nan 0.000 0.502 485 R N 0.496 120.943 120.500 -0.089 0.000 2.070 485 R HA -0.142 4.215 4.340 0.029 0.000 0.233 485 R C 2.064 178.327 176.300 -0.063 0.000 1.137 485 R CA 1.698 57.742 56.100 -0.094 0.000 0.945 485 R CB -0.960 29.316 30.300 -0.040 0.000 0.845 485 R HN 0.699 nan 8.270 nan 0.000 0.430 486 A N 1.660 124.493 122.820 0.021 0.000 1.978 486 A HA -0.203 4.134 4.320 0.029 0.000 0.220 486 A C 2.072 179.658 177.584 0.003 0.000 1.170 486 A CA 1.524 53.612 52.037 0.084 0.000 0.636 486 A CB -0.364 18.770 19.000 0.222 0.000 0.810 486 A HN 0.403 nan 8.150 nan 0.000 0.448 487 E N -0.610 119.563 120.200 -0.046 0.000 2.047 487 E HA -0.108 4.259 4.350 0.029 0.000 0.191 487 E C 2.012 178.517 176.600 -0.158 0.000 0.987 487 E CA 1.188 57.542 56.400 -0.076 0.000 0.799 487 E CB -0.228 29.419 29.700 -0.088 0.000 0.752 487 E HN 0.359 nan 8.360 nan 0.000 0.449 488 V N 0.817 120.532 119.914 -0.332 0.000 2.287 488 V HA -0.284 3.853 4.120 0.029 0.000 0.248 488 V C 2.245 178.163 176.094 -0.294 0.000 1.053 488 V CA 1.966 63.874 62.300 -0.654 0.000 1.027 488 V CB -0.381 30.953 31.823 -0.814 0.000 0.646 488 V HN 0.213 nan 8.190 nan 0.000 0.447 489 S N -0.107 115.510 115.700 -0.138 0.000 2.402 489 S HA -0.139 4.348 4.470 0.029 0.000 0.229 489 S C 1.853 176.488 174.600 0.059 0.000 1.021 489 S CA 1.075 59.267 58.200 -0.014 0.000 0.974 489 S CB -0.370 62.844 63.200 0.022 0.000 0.800 489 S HN 0.607 nan 8.310 nan 0.000 0.484 490 N N 1.963 120.693 118.700 0.051 0.000 2.142 490 N HA 0.039 4.796 4.740 0.029 0.000 0.186 490 N C 1.883 177.516 175.510 0.204 0.000 1.023 490 N CA 1.244 54.352 53.050 0.097 0.000 0.852 490 N CB -0.626 37.898 38.487 0.061 0.000 0.998 490 N HN 0.386 nan 8.380 nan 0.000 0.424 491 A N 1.381 124.350 122.820 0.248 0.000 1.883 491 A HA -0.080 4.257 4.320 0.029 0.000 0.217 491 A C 2.352 180.319 177.584 0.638 0.000 1.186 491 A CA 0.999 53.350 52.037 0.522 0.000 0.624 491 A CB -0.726 18.519 19.000 0.408 0.000 0.822 491 A HN 0.215 nan 8.150 nan 0.000 0.444 492 I N -0.510 120.312 120.570 0.420 0.000 2.226 492 I HA -0.247 3.940 4.170 0.029 0.000 0.245 492 I C 2.282 178.587 176.117 0.312 0.000 1.100 492 I CA 1.889 63.410 61.300 0.368 0.000 1.374 492 I CB -0.370 37.760 38.000 0.216 0.000 1.057 492 I HN 0.458 nan 8.210 nan 0.000 0.413 493 D N 0.451 120.989 120.400 0.231 0.000 2.104 493 D HA -0.238 4.419 4.640 0.029 0.000 0.194 493 D C 2.239 178.638 176.300 0.166 0.000 0.994 493 D CA 1.509 55.614 54.000 0.175 0.000 0.830 493 D CB 0.061 40.941 40.800 0.133 0.000 0.959 493 D HN 0.304 nan 8.370 nan 0.000 0.452 494 Q N -1.142 118.772 119.800 0.189 0.000 2.096 494 Q HA -0.221 4.137 4.340 0.029 0.000 0.204 494 Q C 2.020 178.039 176.000 0.031 0.000 0.982 494 Q CA 1.295 57.156 55.803 0.096 0.000 0.850 494 Q CB -0.373 28.425 28.738 0.100 0.000 0.901 494 Q HN 0.524 nan 8.270 nan 0.000 0.422 495 Y N 1.253 121.579 120.300 0.043 0.000 2.128 495 Y HA -0.234 4.334 4.550 0.029 0.000 0.284 495 Y C 2.174 178.043 175.900 -0.052 0.000 1.154 495 Y CA 1.703 59.784 58.100 -0.032 0.000 1.149 495 Y CB 0.013 38.607 38.460 0.223 0.000 0.976 495 Y HN 0.041 nan 8.280 nan 0.000 0.505 496 V N -2.792 117.216 119.914 0.157 0.000 3.235 496 V HA -0.018 4.119 4.120 0.029 0.000 0.259 496 V C 1.578 177.670 176.094 -0.002 0.000 1.133 496 V CA 1.605 63.939 62.300 0.058 0.000 1.128 496 V CB -1.028 30.882 31.823 0.144 0.000 0.757 496 V HN 0.540 nan 8.190 nan 0.000 0.469 497 T N -3.022 111.532 114.554 -0.001 0.000 3.069 497 T HA 0.417 4.784 4.350 0.029 0.000 0.252 497 T C 1.525 176.187 174.700 -0.064 0.000 1.053 497 T CA 0.522 62.616 62.100 -0.011 0.000 0.964 497 T CB 0.055 68.936 68.868 0.022 0.000 1.005 497 T HN 1.563 nan 8.240 nan 0.000 0.532 498 G N 2.260 110.980 108.800 -0.133 0.000 2.295 498 G HA2 -0.246 3.731 3.960 0.029 0.000 0.287 498 G HA3 -0.246 3.731 3.960 0.029 0.000 0.287 498 G C 0.401 175.217 174.900 -0.141 0.000 1.055 498 G CA 0.485 45.480 45.100 -0.175 0.000 0.922 498 G HN 1.197 nan 8.290 nan 0.000 0.503 499 T N -2.826 111.652 114.554 -0.127 0.000 3.415 499 T HA 0.545 4.913 4.350 0.029 0.000 0.282 499 T C 1.843 176.475 174.700 -0.113 0.000 1.007 499 T CA 0.231 62.276 62.100 -0.091 0.000 0.958 499 T CB 0.043 68.889 68.868 -0.037 0.000 1.171 499 T HN 0.249 nan 8.240 nan 0.000 0.500 500 I N 1.678 122.112 120.570 -0.226 0.000 2.252 500 I HA 0.256 4.443 4.170 0.029 0.000 0.245 500 I C 1.732 177.762 176.117 -0.146 0.000 1.102 500 I CA 1.508 62.626 61.300 -0.303 0.000 1.385 500 I CB -0.476 37.118 38.000 -0.676 0.000 1.064 500 I HN 0.793 nan 8.210 nan 0.000 0.414 501 G N 0.142 108.861 108.800 -0.134 0.000 2.462 501 G HA2 -0.126 3.851 3.960 0.029 0.000 0.685 501 G HA3 -0.126 3.851 3.960 0.029 0.000 0.685 501 G C -0.075 174.784 174.900 -0.068 0.000 1.295 501 G CA -0.393 44.664 45.100 -0.071 0.000 0.941 501 G HN 0.157 nan 8.290 nan 0.000 0.554 502 E N -0.086 120.092 120.200 -0.038 0.000 2.110 502 E HA 0.106 4.473 4.350 0.029 0.000 0.220 502 E C 1.465 178.057 176.600 -0.013 0.000 0.893 502 E CA 1.400 57.781 56.400 -0.031 0.000 1.027 502 E CB 0.025 29.712 29.700 -0.023 0.000 1.017 502 E HN 0.611 nan 8.360 nan 0.000 0.522 503 D N 0.468 120.869 120.400 0.001 0.000 2.373 503 D HA -0.035 4.622 4.640 0.029 0.000 0.265 503 D C 1.668 177.988 176.300 0.033 0.000 1.316 503 D CA -0.154 53.855 54.000 0.014 0.000 1.005 503 D CB -0.309 40.498 40.800 0.010 0.000 0.936 503 D HN 0.025 nan 8.370 nan 0.000 0.299 504 E N 0.527 120.746 120.200 0.032 0.000 2.197 504 E HA -0.245 4.122 4.350 0.029 0.000 0.205 504 E C 1.414 178.052 176.600 0.062 0.000 1.029 504 E CA 1.441 57.867 56.400 0.042 0.000 0.828 504 E CB -0.208 29.512 29.700 0.033 0.000 0.737 504 E HN 0.287 nan 8.360 nan 0.000 0.464 505 D N 0.145 120.579 120.400 0.057 0.000 2.097 505 D HA -0.130 4.527 4.640 0.029 0.000 0.197 505 D C 2.023 178.399 176.300 0.126 0.000 0.984 505 D CA 0.455 54.501 54.000 0.078 0.000 0.826 505 D CB -0.387 40.439 40.800 0.044 0.000 0.973 505 D HN 0.118 nan 8.370 nan 0.000 0.460 506 L N 0.635 121.914 121.223 0.093 0.000 2.046 506 L HA -0.123 4.234 4.340 0.029 0.000 0.208 506 L C 2.121 179.124 176.870 0.221 0.000 1.077 506 L CA 1.272 56.193 54.840 0.135 0.000 0.747 506 L CB -0.424 41.665 42.059 0.049 0.000 0.896 506 L HN -0.128 nan 8.230 nan 0.000 0.432 507 V N -0.042 119.958 119.914 0.144 0.000 2.287 507 V HA -0.343 3.794 4.120 0.029 0.000 0.248 507 V C 2.631 178.820 176.094 0.158 0.000 1.053 507 V CA 2.265 64.644 62.300 0.131 0.000 1.027 507 V CB -0.768 31.104 31.823 0.082 0.000 0.646 507 V HN 0.468 nan 8.190 nan 0.000 0.447 508 K N -1.424 119.070 120.400 0.157 0.000 2.103 508 K HA -0.265 4.073 4.320 0.029 0.000 0.207 508 K C 1.945 178.675 176.600 0.216 0.000 1.048 508 K CA 2.118 58.495 56.287 0.151 0.000 0.930 508 K CB -0.315 32.264 32.500 0.131 0.000 0.716 508 K HN 0.653 nan 8.250 nan 0.000 0.444 509 W N 2.234 123.601 121.300 0.112 0.000 2.379 509 W HA -0.185 4.492 4.660 0.029 0.000 0.307 509 W C 1.889 178.582 176.519 0.289 0.000 1.200 509 W CA 1.405 58.863 57.345 0.189 0.000 1.297 509 W CB -0.013 29.548 29.460 0.169 0.000 1.140 509 W HN 0.054 nan 8.180 nan 0.000 0.507 510 Q N -0.135 119.869 119.800 0.339 0.000 2.167 510 Q HA -0.113 4.244 4.340 0.029 0.000 0.202 510 Q C 2.292 178.352 176.000 0.099 0.000 0.970 510 Q CA 1.441 57.321 55.803 0.129 0.000 0.855 510 Q CB -0.671 28.177 28.738 0.183 0.000 0.911 510 Q HN 0.341 nan 8.270 nan 0.000 0.438 511 A N 0.517 123.388 122.820 0.084 0.000 2.225 511 A HA -0.123 4.214 4.320 0.029 0.000 0.215 511 A C 1.851 179.429 177.584 -0.009 0.000 1.164 511 A CA 0.836 52.897 52.037 0.039 0.000 0.710 511 A CB -0.392 18.631 19.000 0.038 0.000 0.780 511 A HN 0.331 nan 8.150 nan 0.000 0.473 512 M N -1.458 118.107 119.600 -0.058 0.000 2.595 512 M HA 0.228 4.726 4.480 0.029 0.000 0.248 512 M C -0.782 175.225 176.300 -0.488 0.000 1.119 512 M CA 0.536 55.675 55.300 -0.268 0.000 1.079 512 M CB 0.048 32.383 32.600 -0.440 0.000 1.472 512 M HN 0.296 nan 8.290 nan 0.000 0.501 513 F N -1.228 118.533 119.950 -0.316 0.000 2.556 513 F HA 0.316 4.860 4.527 0.029 0.000 0.327 513 F C 1.199 176.870 175.800 -0.216 0.000 1.059 513 F CA -0.915 56.864 58.000 -0.368 0.000 0.953 513 F CB 0.870 39.543 39.000 -0.545 0.000 1.227 513 F HN -0.139 nan 8.300 nan 0.000 0.478 514 E N -0.066 120.132 120.200 -0.004 0.000 2.318 514 E HA 0.037 4.404 4.350 0.029 0.000 0.193 514 E C -0.596 175.990 176.600 -0.023 0.000 0.998 514 E CA 0.662 57.050 56.400 -0.019 0.000 0.859 514 E CB 0.332 30.015 29.700 -0.029 0.000 0.812 514 E HN 0.566 nan 8.360 nan 0.000 0.492 515 E N 0.853 121.034 120.200 -0.031 0.000 2.281 515 E HA 0.225 4.592 4.350 0.029 0.000 0.266 515 E C -1.271 175.236 176.600 -0.155 0.000 0.893 515 E CA -0.383 55.973 56.400 -0.073 0.000 0.798 515 E CB 2.688 32.342 29.700 -0.076 0.000 1.245 515 E HN -0.155 nan 8.360 nan 0.000 0.410 516 V N 4.168 123.972 119.914 -0.183 0.000 2.529 516 V HA 0.106 4.244 4.120 0.029 0.000 0.292 516 V C -1.877 174.018 176.094 -0.332 0.000 1.028 516 V CA -1.005 61.081 62.300 -0.356 0.000 1.074 516 V CB -0.235 31.475 31.823 -0.189 0.000 0.958 516 V HN 0.563 nan 8.190 nan 0.000 0.481 517 P HA 0.402 nan 4.420 nan 0.000 0.279 517 P C -0.439 176.834 177.300 -0.045 0.000 1.239 517 P CA -0.315 62.618 63.100 -0.278 0.000 0.789 517 P CB 0.762 32.203 31.700 -0.431 0.000 0.933 518 A N 2.847 125.655 122.820 -0.019 0.000 2.477 518 A HA 0.075 4.412 4.320 0.029 0.000 0.246 518 A C 0.433 178.068 177.584 0.085 0.000 1.078 518 A CA -0.145 51.899 52.037 0.012 0.000 0.770 518 A CB -0.322 18.667 19.000 -0.018 0.000 1.011 518 A HN 0.575 nan 8.150 nan 0.000 0.494 519 Q N 0.877 120.678 119.800 0.003 0.000 2.421 519 Q HA 0.275 4.633 4.340 0.029 0.000 0.255 519 Q C -0.575 175.293 176.000 -0.220 0.000 1.013 519 Q CA -0.043 55.653 55.803 -0.179 0.000 0.895 519 Q CB 0.511 29.070 28.738 -0.299 0.000 1.271 519 Q HN 0.701 nan 8.270 nan 0.000 0.460 520 L N 2.307 123.298 121.223 -0.387 0.000 2.380 520 L HA 0.144 4.501 4.340 0.029 0.000 0.273 520 L C 0.837 177.578 176.870 -0.216 0.000 1.138 520 L CA -0.399 54.271 54.840 -0.282 0.000 0.832 520 L CB 0.563 42.412 42.059 -0.349 0.000 1.124 520 L HN 0.727 nan 8.230 nan 0.000 0.454 521 T N -1.640 112.833 114.554 -0.135 0.000 2.899 521 T HA 0.085 4.452 4.350 0.029 0.000 0.295 521 T C 1.005 175.658 174.700 -0.078 0.000 1.033 521 T CA -0.821 61.221 62.100 -0.096 0.000 1.084 521 T CB 1.308 70.142 68.868 -0.057 0.000 0.979 521 T HN 0.517 nan 8.240 nan 0.000 0.532 522 E N 1.206 121.366 120.200 -0.065 0.000 2.209 522 E HA -0.132 4.235 4.350 0.029 0.000 0.196 522 E C 2.252 178.847 176.600 -0.008 0.000 0.993 522 E CA 1.378 57.753 56.400 -0.041 0.000 0.819 522 E CB -0.646 29.032 29.700 -0.037 0.000 0.745 522 E HN 0.860 nan 8.360 nan 0.000 0.477 523 A N 1.028 123.845 122.820 -0.005 0.000 1.929 523 A HA -0.141 4.196 4.320 0.029 0.000 0.216 523 A C 1.990 179.602 177.584 0.047 0.000 1.176 523 A CA 1.029 53.078 52.037 0.019 0.000 0.628 523 A CB -0.218 18.791 19.000 0.014 0.000 0.816 523 A HN 0.171 nan 8.150 nan 0.000 0.444 524 E N 0.076 120.296 120.200 0.033 0.000 2.107 524 E HA -0.138 4.229 4.350 0.029 0.000 0.191 524 E C 1.918 178.590 176.600 0.120 0.000 0.982 524 E CA 1.033 57.477 56.400 0.073 0.000 0.809 524 E CB -0.115 29.593 29.700 0.014 0.000 0.756 524 E HN 0.551 nan 8.360 nan 0.000 0.459 525 K N 1.087 121.521 120.400 0.057 0.000 2.057 525 K HA -0.122 4.216 4.320 0.029 0.000 0.207 525 K C 2.096 178.803 176.600 0.179 0.000 1.049 525 K CA 0.961 57.309 56.287 0.102 0.000 0.931 525 K CB -0.048 32.466 32.500 0.023 0.000 0.714 525 K HN -0.020 nan 8.250 nan 0.000 0.440 526 K N 1.081 121.553 120.400 0.120 0.000 2.026 526 K HA -0.221 4.116 4.320 0.029 0.000 0.208 526 K C 2.367 179.053 176.600 0.143 0.000 1.048 526 K CA 1.486 57.840 56.287 0.113 0.000 0.929 526 K CB -0.037 32.503 32.500 0.067 0.000 0.713 526 K HN 0.192 nan 8.250 nan 0.000 0.439 527 Q N 0.296 120.192 119.800 0.160 0.000 2.050 527 Q HA -0.208 4.149 4.340 0.029 0.000 0.202 527 Q C 1.956 178.096 176.000 0.235 0.000 0.980 527 Q CA 1.415 57.318 55.803 0.167 0.000 0.840 527 Q CB -0.190 28.645 28.738 0.162 0.000 0.898 527 Q HN 0.508 nan 8.270 nan 0.000 0.424 528 W N 0.946 122.335 121.300 0.148 0.000 2.335 528 W HA -0.231 4.446 4.660 0.029 0.000 0.311 528 W C 1.695 178.421 176.519 0.345 0.000 1.213 528 W CA 1.341 58.804 57.345 0.197 0.000 1.274 528 W CB -0.256 29.321 29.460 0.195 0.000 1.148 528 W HN 0.239 nan 8.180 nan 0.000 0.498 529 I N 1.399 122.177 120.570 0.347 0.000 2.335 529 I HA -0.299 3.888 4.170 0.029 0.000 0.251 529 I C 2.555 178.735 176.117 0.105 0.000 1.129 529 I CA 1.610 63.095 61.300 0.309 0.000 1.402 529 I CB -0.706 37.445 38.000 0.251 0.000 1.069 529 I HN -0.037 nan 8.210 nan 0.000 0.424 530 A N 0.082 122.939 122.820 0.061 0.000 2.209 530 A HA -0.115 4.223 4.320 0.029 0.000 0.212 530 A C 2.056 179.594 177.584 -0.077 0.000 1.158 530 A CA 0.967 52.997 52.037 -0.011 0.000 0.742 530 A CB -0.361 18.644 19.000 0.010 0.000 0.790 530 A HN 0.364 nan 8.150 nan 0.000 0.472 531 K N -1.038 119.298 120.400 -0.107 0.000 2.426 531 K HA 0.170 4.507 4.320 0.029 0.000 0.193 531 K C -0.010 176.391 176.600 -0.332 0.000 1.028 531 K CA -0.267 55.913 56.287 -0.179 0.000 1.047 531 K CB -0.011 32.351 32.500 -0.231 0.000 0.821 531 K HN 0.381 nan 8.250 nan 0.000 0.513 532 L N 1.852 122.749 121.223 -0.543 0.000 2.380 532 L HA 0.131 4.488 4.340 0.029 0.000 0.273 532 L C 0.022 176.619 176.870 -0.454 0.000 1.138 532 L CA 0.679 54.983 54.840 -0.893 0.000 0.832 532 L CB 0.844 42.161 42.059 -1.236 0.000 1.124 532 L HN 0.155 nan 8.230 nan 0.000 0.454 533 T N 1.256 115.586 114.554 -0.373 0.000 2.812 533 T HA 0.698 5.066 4.350 0.029 0.000 0.294 533 T C 0.222 174.814 174.700 -0.181 0.000 1.159 533 T CA -0.427 61.531 62.100 -0.236 0.000 1.008 533 T CB 1.216 69.976 68.868 -0.180 0.000 1.289 533 T HN 1.688 nan 8.240 nan 0.000 0.514 534 A N -0.263 122.454 122.820 -0.171 0.000 2.832 534 A HA -0.019 4.318 4.320 0.029 0.000 0.280 534 A C 0.367 177.976 177.584 0.042 0.000 1.464 534 A CA 0.582 52.577 52.037 -0.070 0.000 0.804 534 A CB -2.640 16.413 19.000 0.087 0.000 1.020 534 A HN 1.281 nan 8.150 nan 0.000 0.563 535 V N 0.549 120.430 119.914 -0.055 0.000 2.732 535 V HA 0.515 4.653 4.120 0.029 0.000 0.297 535 V C 0.988 177.133 176.094 0.084 0.000 1.060 535 V CA 0.287 62.597 62.300 0.017 0.000 1.038 535 V CB 1.800 33.628 31.823 0.009 0.000 1.003 535 V HN 0.613 nan 8.190 nan 0.000 0.481 536 S N 3.793 119.557 115.700 0.107 0.000 2.565 536 S HA 0.765 5.252 4.470 0.029 0.000 0.290 536 S C -0.649 173.942 174.600 -0.015 0.000 1.150 536 S CA -0.451 57.806 58.200 0.095 0.000 1.058 536 S CB 1.328 64.562 63.200 0.057 0.000 1.032 536 S HN 0.600 nan 8.310 nan 0.000 0.510 537 L N 2.019 123.205 121.223 -0.061 0.000 2.436 537 L HA 0.675 5.032 4.340 0.029 0.000 0.268 537 L C -0.776 176.043 176.870 -0.085 0.000 0.974 537 L CA -0.104 54.634 54.840 -0.170 0.000 0.826 537 L CB 2.033 43.893 42.059 -0.331 0.000 1.291 537 L HN 0.641 nan 8.230 nan 0.000 0.406 538 S N 2.360 118.014 115.700 -0.076 0.000 2.482 538 S HA 0.674 5.161 4.470 0.029 0.000 0.303 538 S C -0.977 173.594 174.600 -0.049 0.000 1.091 538 S CA -0.388 57.788 58.200 -0.039 0.000 1.057 538 S CB 1.700 64.901 63.200 0.002 0.000 1.031 538 S HN 0.672 nan 8.310 nan 0.000 0.485 539 S N 2.003 117.646 115.700 -0.094 0.000 2.482 539 S HA 0.343 4.830 4.470 0.029 0.000 0.303 539 S C 0.596 175.137 174.600 -0.098 0.000 1.091 539 S CA -0.659 57.481 58.200 -0.100 0.000 1.057 539 S CB 1.121 64.136 63.200 -0.309 0.000 1.031 539 S HN 0.863 nan 8.310 nan 0.000 0.485 540 D N 3.379 123.763 120.400 -0.027 0.000 2.312 540 D HA 0.202 4.859 4.640 0.029 0.000 0.211 540 D C 0.539 176.749 176.300 -0.149 0.000 0.964 540 D CA 0.703 54.682 54.000 -0.034 0.000 0.877 540 D CB -0.020 40.825 40.800 0.074 0.000 0.924 540 D HN 0.533 nan 8.370 nan 0.000 0.515 541 A N -0.754 121.977 122.820 -0.149 0.000 2.530 541 A HA 0.592 4.929 4.320 0.029 0.000 0.288 541 A C -0.583 176.837 177.584 -0.273 0.000 1.172 541 A CA -1.018 50.841 52.037 -0.297 0.000 0.733 541 A CB 0.446 19.251 19.000 -0.325 0.000 1.320 541 A HN 0.156 nan 8.150 nan 0.000 0.419 542 F N -1.051 118.788 119.950 -0.185 0.000 2.535 542 F HA 0.627 5.171 4.527 0.028 0.000 0.332 542 F C -0.640 175.113 175.800 -0.080 0.000 1.208 542 F CA -0.907 56.965 58.000 -0.214 0.000 1.330 542 F CB -0.163 38.726 39.000 -0.184 0.000 1.167 542 F HN 0.230 nan 8.300 nan 0.000 0.597 543 F N 2.441 122.585 119.950 0.323 0.000 2.421 543 F HA 0.351 4.896 4.527 0.029 0.000 0.358 543 F C -1.556 174.403 175.800 0.265 0.000 1.115 543 F CA -2.717 55.419 58.000 0.227 0.000 1.160 543 F CB 0.501 39.597 39.000 0.160 0.000 1.123 543 F HN 0.287 nan 8.300 nan 0.000 0.508 544 P HA -0.079 nan 4.420 nan 0.000 0.216 544 P C -0.409 176.647 177.300 -0.406 0.000 1.153 544 P CA 1.609 64.729 63.100 0.033 0.000 0.848 544 P CB 0.302 32.044 31.700 0.069 0.000 0.787 545 F N -2.867 117.194 119.950 0.184 0.000 2.664 545 F HA 0.353 4.897 4.527 0.029 0.000 0.317 545 F C 1.650 177.471 175.800 0.035 0.000 1.108 545 F CA -1.089 56.967 58.000 0.093 0.000 0.957 545 F CB 0.983 40.016 39.000 0.054 0.000 1.365 545 F HN -0.403 nan 8.300 nan 0.000 0.475 546 R N -0.292 120.344 120.500 0.228 0.000 2.280 546 R HA -0.075 4.282 4.340 0.029 0.000 0.207 546 R C 0.754 177.047 176.300 -0.012 0.000 1.043 546 R CA 1.629 57.774 56.100 0.075 0.000 1.006 546 R CB -0.728 29.611 30.300 0.065 0.000 0.885 546 R HN 0.659 nan 8.270 nan 0.000 0.467 547 D N 1.220 121.628 120.400 0.013 0.000 2.190 547 D HA -0.241 4.416 4.640 0.029 0.000 0.200 547 D C 1.056 177.277 176.300 -0.133 0.000 0.992 547 D CA 1.252 55.220 54.000 -0.053 0.000 0.854 547 D CB -0.605 40.164 40.800 -0.053 0.000 0.936 547 D HN 0.303 nan 8.370 nan 0.000 0.462 548 N N 0.264 118.818 118.700 -0.242 0.000 2.120 548 N HA -0.098 4.659 4.740 0.029 0.000 0.188 548 N C 1.975 177.210 175.510 -0.458 0.000 1.024 548 N CA 1.223 53.969 53.050 -0.507 0.000 0.852 548 N CB -0.062 37.672 38.487 -1.255 0.000 1.003 548 N HN 0.197 nan 8.380 nan 0.000 0.424 549 V N 1.920 121.617 119.914 -0.362 0.000 2.453 549 V HA -0.143 3.994 4.120 0.029 0.000 0.247 549 V C 1.752 177.784 176.094 -0.103 0.000 1.048 549 V CA 1.416 63.603 62.300 -0.189 0.000 1.049 549 V CB -0.400 31.373 31.823 -0.085 0.000 0.672 549 V HN 0.150 nan 8.190 nan 0.000 0.457 550 D N 0.116 120.463 120.400 -0.088 0.000 2.117 550 D HA -0.191 4.467 4.640 0.029 0.000 0.197 550 D C 2.316 178.591 176.300 -0.043 0.000 0.987 550 D CA 1.424 55.391 54.000 -0.055 0.000 0.829 550 D CB -0.150 40.623 40.800 -0.046 0.000 0.961 550 D HN 0.273 nan 8.370 nan 0.000 0.460 551 R N 1.236 121.706 120.500 -0.051 0.000 2.075 551 R HA 0.001 4.358 4.340 0.029 0.000 0.232 551 R C 1.984 178.310 176.300 0.044 0.000 1.126 551 R CA 1.742 57.837 56.100 -0.010 0.000 0.963 551 R CB -0.695 29.599 30.300 -0.010 0.000 0.858 551 R HN 0.053 nan 8.270 nan 0.000 0.435 552 A N 0.605 123.453 122.820 0.047 0.000 1.930 552 A HA -0.134 4.203 4.320 0.029 0.000 0.217 552 A C 2.045 179.677 177.584 0.081 0.000 1.175 552 A CA 1.764 53.893 52.037 0.153 0.000 0.627 552 A CB -0.532 18.489 19.000 0.035 0.000 0.815 552 A HN 0.337 nan 8.150 nan 0.000 0.443 553 K N 0.348 120.749 120.400 0.003 0.000 2.152 553 K HA -0.095 4.243 4.320 0.029 0.000 0.206 553 K C 1.930 178.516 176.600 -0.023 0.000 1.048 553 K CA 1.537 57.807 56.287 -0.029 0.000 0.933 553 K CB -0.328 32.145 32.500 -0.045 0.000 0.721 553 K HN 0.463 nan 8.250 nan 0.000 0.447 554 R N -0.598 119.900 120.500 -0.003 0.000 2.237 554 R HA -0.021 4.336 4.340 0.029 0.000 0.219 554 R C 0.795 177.094 176.300 -0.003 0.000 1.080 554 R CA 0.888 56.986 56.100 -0.004 0.000 0.995 554 R CB -0.089 30.214 30.300 0.005 0.000 0.875 554 R HN 0.181 nan 8.270 nan 0.000 0.462 555 I N -0.381 120.192 120.570 0.005 0.000 3.762 555 I HA 0.257 4.445 4.170 0.029 0.000 0.333 555 I C 0.438 176.520 176.117 -0.060 0.000 1.566 555 I CA -0.028 61.258 61.300 -0.023 0.000 1.129 555 I CB 0.509 38.479 38.000 -0.050 0.000 1.218 555 I HN 0.255 nan 8.210 nan 0.000 0.456 556 G N 0.799 109.553 108.800 -0.077 0.000 2.136 556 G HA2 -0.199 3.778 3.960 0.029 0.000 0.242 556 G HA3 -0.199 3.778 3.960 0.029 0.000 0.242 556 G C 0.285 175.111 174.900 -0.124 0.000 0.989 556 G CA 0.205 45.224 45.100 -0.134 0.000 0.682 556 G HN 0.287 nan 8.290 nan 0.000 0.522 557 V N 0.607 120.485 119.914 -0.060 0.000 2.485 557 V HA 0.275 4.413 4.120 0.029 0.000 0.287 557 V C 1.343 177.305 176.094 -0.220 0.000 1.022 557 V CA 1.578 63.827 62.300 -0.085 0.000 1.067 557 V CB 1.587 33.403 31.823 -0.011 0.000 0.967 557 V HN 0.583 nan 8.190 nan 0.000 0.479 558 Q N 3.775 123.319 119.800 -0.426 0.000 2.322 558 Q HA 0.266 4.623 4.340 0.029 0.000 0.250 558 Q C -0.565 174.897 176.000 -0.895 0.000 0.853 558 Q CA 0.195 55.541 55.803 -0.762 0.000 0.951 558 Q CB 0.650 28.689 28.738 -1.166 0.000 1.114 558 Q HN 0.683 nan 8.270 nan 0.000 0.523 559 F N 0.880 120.780 119.950 -0.083 0.000 2.518 559 F HA 0.540 5.084 4.527 0.029 0.000 0.323 559 F C -0.491 175.245 175.800 -0.106 0.000 1.129 559 F CA -0.868 57.066 58.000 -0.110 0.000 0.920 559 F CB 1.350 40.257 39.000 -0.154 0.000 1.160 559 F HN -0.158 nan 8.300 nan 0.000 0.440 560 I N 3.600 124.207 120.570 0.061 0.000 2.498 560 I HA 0.518 4.706 4.170 0.029 0.000 0.290 560 I C -1.212 174.911 176.117 0.011 0.000 1.032 560 I CA -1.135 60.184 61.300 0.032 0.000 1.073 560 I CB 2.291 40.339 38.000 0.080 0.000 1.251 560 I HN 0.396 nan 8.210 nan 0.000 0.426 561 V N 6.251 126.167 119.914 0.003 0.000 2.495 561 V HA 0.958 5.095 4.120 0.029 0.000 0.298 561 V C -0.596 175.489 176.094 -0.015 0.000 1.031 561 V CA 0.006 62.333 62.300 0.045 0.000 0.871 561 V CB 1.486 33.408 31.823 0.165 0.000 0.988 561 V HN 0.918 nan 8.190 nan 0.000 0.432 562 A N 6.831 129.649 122.820 -0.003 0.000 2.608 562 A HA 0.895 5.232 4.320 0.029 0.000 0.292 562 A C -3.298 174.278 177.584 -0.014 0.000 1.066 562 A CA -1.306 50.667 52.037 -0.106 0.000 0.676 562 A CB 1.967 20.742 19.000 -0.375 0.000 1.277 562 A HN 0.618 nan 8.150 nan 0.000 0.413 563 P HA 0.289 nan 4.420 nan 0.000 0.272 563 P C 0.225 177.390 177.300 -0.226 0.000 1.223 563 P CA 0.099 63.135 63.100 -0.105 0.000 0.784 563 P CB 0.877 32.517 31.700 -0.100 0.000 0.923 564 S N 0.629 116.087 115.700 -0.404 0.000 2.671 564 S HA 0.647 5.134 4.470 0.029 0.000 0.272 564 S C 1.021 175.378 174.600 -0.406 0.000 1.174 564 S CA 0.157 57.911 58.200 -0.743 0.000 1.004 564 S CB 0.285 63.104 63.200 -0.634 0.000 1.077 564 S HN 0.812 nan 8.310 nan 0.000 0.553 565 G N -0.824 107.651 108.800 -0.542 0.000 2.273 565 G HA2 -0.080 3.898 3.960 0.029 0.000 0.162 565 G HA3 -0.080 3.898 3.960 0.029 0.000 0.162 565 G C 0.012 174.149 174.900 -1.272 0.000 1.006 565 G CA 0.087 44.792 45.100 -0.658 0.000 0.704 565 G HN 1.089 nan 8.290 nan 0.000 0.487 566 S N -0.080 114.869 115.700 -1.251 0.000 2.646 566 S HA 0.743 5.230 4.470 0.029 0.000 0.276 566 S C 1.795 176.092 174.600 -0.504 0.000 1.222 566 S CA 0.744 58.313 58.200 -1.052 0.000 1.014 566 S CB 1.485 64.331 63.200 -0.589 0.000 0.991 566 S HN 1.469 nan 8.310 nan 0.000 0.533 567 A N 2.534 125.141 122.820 -0.355 0.000 2.015 567 A HA 0.288 4.625 4.320 0.029 0.000 0.219 567 A C 1.650 179.138 177.584 -0.160 0.000 1.163 567 A CA 1.344 53.257 52.037 -0.207 0.000 0.646 567 A CB -0.853 18.063 19.000 -0.140 0.000 0.806 567 A HN 1.235 nan 8.150 nan 0.000 0.448 568 A N -0.525 122.181 122.820 -0.190 0.000 2.833 568 A HA 0.359 4.696 4.320 0.029 0.000 0.293 568 A C 0.774 178.327 177.584 -0.053 0.000 1.338 568 A CA 0.157 52.137 52.037 -0.095 0.000 0.959 568 A CB -0.343 18.610 19.000 -0.079 0.000 1.094 568 A HN 0.278 nan 8.150 nan 0.000 0.569 569 D N 0.687 121.039 120.400 -0.080 0.000 2.104 569 D HA -0.160 4.497 4.640 0.029 0.000 0.194 569 D C 1.675 178.019 176.300 0.074 0.000 0.994 569 D CA 1.297 55.303 54.000 0.010 0.000 0.830 569 D CB 0.166 40.936 40.800 -0.049 0.000 0.959 569 D HN 0.426 nan 8.370 nan 0.000 0.452 570 E N 0.231 120.449 120.200 0.029 0.000 2.118 570 E HA -0.106 4.261 4.350 0.029 0.000 0.195 570 E C 2.382 179.003 176.600 0.035 0.000 0.992 570 E CA 0.349 56.768 56.400 0.031 0.000 0.804 570 E CB -0.314 29.393 29.700 0.012 0.000 0.741 570 E HN 0.191 nan 8.360 nan 0.000 0.458 571 V N 0.913 120.850 119.914 0.038 0.000 2.515 571 V HA -0.176 3.961 4.120 0.029 0.000 0.250 571 V C 2.504 178.634 176.094 0.060 0.000 1.058 571 V CA 1.016 63.345 62.300 0.049 0.000 1.064 571 V CB -0.359 31.503 31.823 0.065 0.000 0.675 571 V HN 0.057 nan 8.190 nan 0.000 0.461 572 V N -0.110 119.853 119.914 0.082 0.000 2.358 572 V HA -0.233 3.904 4.120 0.029 0.000 0.246 572 V C 2.167 178.303 176.094 0.069 0.000 1.047 572 V CA 2.025 64.391 62.300 0.110 0.000 1.035 572 V CB -0.459 31.482 31.823 0.196 0.000 0.658 572 V HN 0.425 nan 8.190 nan 0.000 0.452 573 I N -0.194 120.402 120.570 0.045 0.000 2.142 573 I HA -0.208 3.979 4.170 0.029 0.000 0.240 573 I C 2.691 178.805 176.117 -0.004 0.000 1.078 573 I CA 1.511 62.805 61.300 -0.010 0.000 1.343 573 I CB -0.368 37.622 38.000 -0.016 0.000 1.046 573 I HN 0.272 nan 8.210 nan 0.000 0.405 574 E N 1.219 121.424 120.200 0.009 0.000 2.070 574 E HA -0.244 4.123 4.350 0.029 0.000 0.197 574 E C 2.168 178.769 176.600 0.003 0.000 1.004 574 E CA 1.784 58.188 56.400 0.005 0.000 0.805 574 E CB -0.413 29.294 29.700 0.012 0.000 0.744 574 E HN 0.445 nan 8.360 nan 0.000 0.451 575 A N -0.092 122.735 122.820 0.013 0.000 1.892 575 A HA -0.262 4.075 4.320 0.029 0.000 0.218 575 A C 2.692 180.271 177.584 -0.008 0.000 1.188 575 A CA 1.835 53.876 52.037 0.006 0.000 0.631 575 A CB -1.126 17.884 19.000 0.016 0.000 0.822 575 A HN 0.476 nan 8.150 nan 0.000 0.447 576 C N -0.484 118.811 119.300 -0.008 0.000 2.440 576 C HA -0.066 4.411 4.460 0.029 0.000 0.278 576 C C 2.670 177.640 174.990 -0.033 0.000 1.295 576 C CA 0.959 59.962 59.018 -0.024 0.000 1.738 576 C CB -1.494 26.231 27.740 -0.026 0.000 1.987 576 C HN 0.635 nan 8.230 nan 0.000 0.492 577 N N 1.106 119.791 118.700 -0.025 0.000 2.084 577 N HA -0.127 4.630 4.740 0.029 0.000 0.190 577 N C 1.613 177.108 175.510 -0.025 0.000 1.030 577 N CA 1.380 54.415 53.050 -0.024 0.000 0.849 577 N CB -0.498 37.978 38.487 -0.017 0.000 1.012 577 N HN 0.630 nan 8.380 nan 0.000 0.423 578 E N 0.437 120.625 120.200 -0.021 0.000 2.110 578 E HA -0.061 4.306 4.350 0.029 0.000 0.193 578 E C 1.380 177.962 176.600 -0.031 0.000 0.988 578 E CA 0.681 57.069 56.400 -0.021 0.000 0.804 578 E CB -0.069 29.622 29.700 -0.016 0.000 0.745 578 E HN 0.313 nan 8.360 nan 0.000 0.458 579 L N -0.316 120.885 121.223 -0.038 0.000 2.612 579 L HA 0.209 4.566 4.340 0.029 0.000 0.230 579 L C 1.088 177.916 176.870 -0.070 0.000 1.140 579 L CA 0.126 54.936 54.840 -0.051 0.000 0.896 579 L CB 0.005 42.033 42.059 -0.052 0.000 1.065 579 L HN 0.256 nan 8.230 nan 0.000 0.447 580 G N 1.189 109.951 108.800 -0.064 0.000 2.198 580 G HA2 -0.289 3.688 3.960 0.029 0.000 0.260 580 G HA3 -0.289 3.688 3.960 0.029 0.000 0.260 580 G C 0.092 174.924 174.900 -0.114 0.000 1.025 580 G CA 0.020 45.073 45.100 -0.078 0.000 0.769 580 G HN 0.335 nan 8.290 nan 0.000 0.507 581 I N 0.656 121.164 120.570 -0.104 0.000 2.437 581 I HA 0.327 4.515 4.170 0.029 0.000 0.298 581 I C 0.594 176.663 176.117 -0.081 0.000 0.984 581 I CA -0.578 60.641 61.300 -0.136 0.000 1.214 581 I CB 1.727 39.662 38.000 -0.108 0.000 1.365 581 I HN 0.005 nan 8.210 nan 0.000 0.469 582 T N 7.075 121.593 114.554 -0.059 0.000 2.729 582 T HA 0.359 4.726 4.350 0.029 0.000 0.296 582 T C -0.466 174.247 174.700 0.022 0.000 0.928 582 T CA -0.204 61.919 62.100 0.037 0.000 1.045 582 T CB 0.422 69.411 68.868 0.202 0.000 0.902 582 T HN 0.175 nan 8.240 nan 0.000 0.500 583 L N 5.817 127.024 121.223 -0.026 0.000 2.322 583 L HA 0.679 5.037 4.340 0.029 0.000 0.281 583 L C -1.123 175.696 176.870 -0.086 0.000 1.014 583 L CA -0.595 54.204 54.840 -0.069 0.000 0.815 583 L CB 0.949 42.924 42.059 -0.140 0.000 1.247 583 L HN 0.546 nan 8.230 nan 0.000 0.421 584 I N 4.736 125.281 120.570 -0.041 0.000 2.362 584 I HA 0.347 4.534 4.170 0.029 0.000 0.289 584 I C -0.389 175.769 176.117 0.069 0.000 0.994 584 I CA -0.242 61.076 61.300 0.030 0.000 1.158 584 I CB 1.146 39.230 38.000 0.140 0.000 1.315 584 I HN 0.572 nan 8.210 nan 0.000 0.451 585 H N 4.005 123.089 119.070 0.023 0.000 2.488 585 H HA 0.457 5.030 4.556 0.029 0.000 0.322 585 H C 0.057 175.380 175.328 -0.008 0.000 1.078 585 H CA -0.590 55.454 56.048 -0.006 0.000 1.260 585 H CB 1.342 31.094 29.762 -0.017 0.000 1.425 585 H HN 0.659 nan 8.280 nan 0.000 0.471 586 T N 0.104 114.710 114.554 0.088 0.000 2.905 586 T HA 0.228 4.595 4.350 0.029 0.000 0.283 586 T C 0.566 175.241 174.700 -0.042 0.000 1.031 586 T CA -1.062 61.044 62.100 0.010 0.000 1.002 586 T CB 1.322 70.181 68.868 -0.015 0.000 1.200 586 T HN 0.537 nan 8.240 nan 0.000 0.560 587 N N 0.253 118.919 118.700 -0.055 0.000 2.338 587 N HA 0.224 4.981 4.740 0.029 0.000 0.251 587 N C -1.007 174.454 175.510 -0.082 0.000 1.199 587 N CA -0.209 52.800 53.050 -0.070 0.000 0.879 587 N CB 0.571 39.023 38.487 -0.059 0.000 1.159 587 N HN 0.433 nan 8.380 nan 0.000 0.514 588 L N 1.227 122.395 121.223 -0.092 0.000 2.337 588 L HA 0.363 4.721 4.340 0.029 0.000 0.269 588 L C 0.107 176.892 176.870 -0.142 0.000 1.018 588 L CA -0.528 54.247 54.840 -0.108 0.000 0.876 588 L CB 0.647 42.646 42.059 -0.101 0.000 1.236 588 L HN -0.103 nan 8.230 nan 0.000 0.436 589 R N 3.755 124.145 120.500 -0.183 0.000 2.490 589 R HA 0.423 4.780 4.340 0.029 0.000 0.280 589 R C -0.375 175.779 176.300 -0.243 0.000 1.077 589 R CA -0.202 55.721 56.100 -0.294 0.000 1.065 589 R CB 0.595 30.633 30.300 -0.436 0.000 1.003 589 R HN 0.765 nan 8.270 nan 0.000 0.470 590 L N 5.332 126.415 121.223 -0.233 0.000 3.168 590 L HA 0.297 4.654 4.340 0.029 0.000 0.277 590 L C -0.636 176.253 176.870 0.033 0.000 1.308 590 L CA -0.595 54.175 54.840 -0.116 0.000 0.976 590 L CB 0.040 42.034 42.059 -0.109 0.000 1.383 590 L HN 0.472 nan 8.230 nan 0.000 0.572 591 F N 0.322 120.232 119.950 -0.065 0.000 2.553 591 F HA 0.170 4.714 4.527 0.028 0.000 0.356 591 F C 0.710 176.485 175.800 -0.042 0.000 1.142 591 F CA -0.152 57.805 58.000 -0.072 0.000 1.322 591 F CB 0.065 39.049 39.000 -0.026 0.000 1.126 591 F HN 0.152 nan 8.300 nan 0.000 0.599 592 H N 2.487 121.490 119.070 -0.111 0.000 3.017 592 H HA 0.424 4.997 4.556 0.028 0.000 0.340 592 H C -1.246 173.877 175.328 -0.343 0.000 1.014 592 H CA -0.386 55.584 56.048 -0.131 0.000 1.341 592 H CB 0.627 30.336 29.762 -0.088 0.000 1.739 592 H HN 0.557 nan 8.280 nan 0.000 0.506 593 H N 0.000 118.920 119.070 -0.250 0.000 2.539 593 H HA 0.000 4.573 4.556 0.028 0.000 0.296 593 H CA 0.000 55.914 56.048 -0.224 0.000 1.023 593 H CB 0.000 29.700 29.762 -0.103 0.000 1.292 593 H HN 0.000 nan 8.280 nan 0.000 0.496