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 3cq6_1_C DATA FIRST_RESID 3 DATA SEQUENCE KITLSDLPLR EELRGEHAYG APQLNVDIRL NTNENPYPPS EALVADLVAT DATA SEQUENCE VDKIATELNR YPERDAVELR DELAAYITKQ TGVAVTRDNL WAANGSNEIL DATA SEQUENCE QQLLQAFGGP GRTALGFQPS YSMHPILAKG THTEFIAVSR GADFRIDMDV DATA SEQUENCE ALEEIRAKQP DIVFVTTPNN PTGDVTSLDD VERIINVAPG IVIVDEAYAE DATA SEQUENCE FSPSPSATTL LEKYPTKLVV SRTMSXAFDF AGGRLGYFVA NPAFIDAVML DATA SEQUENCE VRLPYHLSAL SQAAAIVALR HSADTLGTVE KLSVERVRVA ARLEELGYAV DATA SEQUENCE VPSESNFVFF GDFSDQHAAW QAFLDRGVLI RDVGIAGHLR TTIGVPEEND DATA SEQUENCE AFLDAAAEII KLNL 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.601 176.600 0.002 0.000 0.988 3 K CA 0.000 56.288 56.287 0.002 0.000 0.838 3 K CB 0.000 32.501 32.500 0.002 0.000 1.064 4 I N -1.569 119.002 120.570 0.002 0.000 3.108 4 I HA 0.942 5.113 4.170 0.000 0.000 0.312 4 I C 0.163 176.280 176.117 0.001 0.000 1.095 4 I CA -0.569 60.732 61.300 0.001 0.000 1.000 4 I CB 2.667 40.668 38.000 0.002 0.000 1.229 4 I HN 0.987 nan 8.210 nan 0.000 0.454 5 T N 0.304 114.858 114.554 0.000 0.000 2.804 5 T HA 0.369 4.719 4.350 0.000 0.000 0.290 5 T C 0.495 175.193 174.700 -0.002 0.000 1.099 5 T CA -0.656 61.444 62.100 -0.001 0.000 1.011 5 T CB 1.218 70.085 68.868 -0.001 0.000 1.291 5 T HN 0.777 nan 8.240 nan 0.000 0.523 6 L N 1.694 122.914 121.223 -0.005 0.000 2.129 6 L HA -0.023 4.318 4.340 0.000 0.000 0.212 6 L C 2.644 179.508 176.870 -0.008 0.000 1.087 6 L CA 2.791 57.627 54.840 -0.007 0.000 0.757 6 L CB -1.110 40.942 42.059 -0.013 0.000 0.896 6 L HN 0.917 nan 8.230 nan 0.000 0.434 7 S N -2.079 113.616 115.700 -0.009 0.000 2.447 7 S HA -0.135 4.335 4.470 0.000 0.000 0.233 7 S C 1.496 176.093 174.600 -0.005 0.000 1.006 7 S CA 1.024 59.218 58.200 -0.009 0.000 0.957 7 S CB -0.618 62.577 63.200 -0.009 0.000 0.773 7 S HN 0.533 nan 8.310 nan 0.000 0.507 8 D N 1.203 121.601 120.400 -0.003 0.000 2.355 8 D HA 0.213 4.853 4.640 0.000 0.000 0.218 8 D C 0.395 176.695 176.300 -0.001 0.000 1.004 8 D CA 0.288 54.287 54.000 -0.001 0.000 0.880 8 D CB 0.056 40.856 40.800 -0.001 0.000 0.911 8 D HN 0.439 nan 8.370 nan 0.000 0.528 9 L N 1.773 122.995 121.223 -0.001 0.000 2.343 9 L HA 0.250 4.591 4.340 0.000 0.000 0.275 9 L C -1.676 175.194 176.870 0.001 0.000 1.056 9 L CA -1.777 53.064 54.840 0.001 0.000 0.804 9 L CB 1.212 43.271 42.059 0.001 0.000 1.203 9 L HN -0.276 nan 8.230 nan 0.000 0.440 10 P HA 0.040 nan 4.420 nan 0.000 0.261 10 P C -0.099 177.205 177.300 0.005 0.000 1.650 10 P CA -0.299 62.803 63.100 0.003 0.000 0.846 10 P CB -0.110 31.593 31.700 0.004 0.000 1.758 11 L N 0.740 121.965 121.223 0.004 0.000 2.529 11 L HA -0.020 4.320 4.340 0.000 0.000 0.287 11 L C 0.871 177.746 176.870 0.009 0.000 1.241 11 L CA 0.275 55.118 54.840 0.006 0.000 0.857 11 L CB 0.014 42.073 42.059 -0.001 0.000 1.113 11 L HN 0.060 nan 8.230 nan 0.000 0.504 12 R N 2.917 123.428 120.500 0.019 0.000 2.583 12 R HA -0.095 4.246 4.340 0.000 0.000 0.274 12 R C 0.964 177.276 176.300 0.019 0.000 0.998 12 R CA 0.093 56.209 56.100 0.027 0.000 1.081 12 R CB 0.318 30.651 30.300 0.054 0.000 0.940 12 R HN 0.667 nan 8.270 nan 0.000 0.413 13 E N 2.593 122.803 120.200 0.017 0.000 2.077 13 E HA -0.231 4.119 4.350 0.000 0.000 0.193 13 E C 1.453 178.058 176.600 0.009 0.000 0.989 13 E CA 1.892 58.297 56.400 0.009 0.000 0.800 13 E CB 0.134 29.840 29.700 0.009 0.000 0.746 13 E HN 0.691 nan 8.360 nan 0.000 0.452 14 E N 0.090 120.303 120.200 0.022 0.000 2.333 14 E HA -0.184 4.166 4.350 0.000 0.000 0.198 14 E C 1.721 178.321 176.600 0.001 0.000 1.007 14 E CA 0.783 57.195 56.400 0.019 0.000 0.845 14 E CB -0.259 29.468 29.700 0.044 0.000 0.766 14 E HN 0.341 nan 8.360 nan 0.000 0.507 15 L N 0.669 121.891 121.223 -0.002 0.000 2.558 15 L HA 0.086 4.426 4.340 0.000 0.000 0.225 15 L C 0.962 177.807 176.870 -0.042 0.000 1.128 15 L CA -0.204 54.623 54.840 -0.022 0.000 0.868 15 L CB 0.020 42.072 42.059 -0.013 0.000 1.006 15 L HN -0.067 nan 8.230 nan 0.000 0.454 16 R N 0.747 121.226 120.500 -0.035 0.000 2.570 16 R HA 0.150 4.490 4.340 0.000 0.000 0.277 16 R C 1.189 177.443 176.300 -0.076 0.000 1.039 16 R CA 0.747 56.818 56.100 -0.048 0.000 1.065 16 R CB -0.178 30.104 30.300 -0.030 0.000 0.964 16 R HN 0.310 nan 8.270 nan 0.000 0.428 17 G N 1.672 110.404 108.800 -0.114 0.000 2.189 17 G HA2 -0.271 3.689 3.960 0.000 0.000 0.267 17 G HA3 -0.271 3.689 3.960 0.000 0.000 0.267 17 G C 0.156 174.870 174.900 -0.310 0.000 0.975 17 G CA 0.330 45.324 45.100 -0.177 0.000 0.644 17 G HN 0.542 nan 8.290 nan 0.000 0.537 18 E N 0.364 120.418 120.200 -0.244 0.000 2.392 18 E HA 0.473 4.823 4.350 0.000 0.000 0.259 18 E C 0.058 176.417 176.600 -0.401 0.000 1.108 18 E CA -0.026 56.233 56.400 -0.235 0.000 0.916 18 E CB 0.436 30.076 29.700 -0.101 0.000 0.989 18 E HN 0.638 nan 8.360 nan 0.000 0.432 19 H N -0.878 118.178 119.070 -0.024 0.000 2.495 19 H HA 0.478 5.034 4.556 0.000 0.000 0.348 19 H C -0.334 174.982 175.328 -0.020 0.000 1.113 19 H CA -0.733 55.298 56.048 -0.028 0.000 1.195 19 H CB 1.630 31.365 29.762 -0.044 0.000 1.521 19 H HN 0.548 nan 8.280 nan 0.000 0.509 20 A N 2.629 125.509 122.820 0.100 0.000 2.520 20 A HA 0.013 4.333 4.320 0.000 0.000 0.245 20 A C -0.453 177.178 177.584 0.080 0.000 1.072 20 A CA -0.146 51.938 52.037 0.078 0.000 0.761 20 A CB -0.585 18.452 19.000 0.061 0.000 1.004 20 A HN 0.802 nan 8.150 nan 0.000 0.499 21 Y N 2.092 122.376 120.300 -0.027 0.000 2.954 21 Y HA 0.143 4.693 4.550 0.000 0.000 0.351 21 Y C 1.077 176.954 175.900 -0.039 0.000 1.282 21 Y CA 1.474 59.542 58.100 -0.053 0.000 1.614 21 Y CB 0.241 38.654 38.460 -0.077 0.000 1.183 21 Y HN 0.675 nan 8.280 nan 0.000 0.566 22 G N 5.733 114.189 108.800 -0.573 0.000 4.988 22 G HA2 0.497 4.457 3.960 0.000 0.000 0.227 22 G HA3 0.497 4.457 3.960 0.000 0.000 0.227 22 G C -0.434 174.194 174.900 -0.453 0.000 0.955 22 G CA -0.091 44.788 45.100 -0.370 0.000 0.784 22 G HN 0.993 nan 8.290 nan 0.000 0.537 23 A N 1.331 123.692 122.820 -0.765 0.000 2.565 23 A HA 0.521 4.841 4.320 0.000 0.000 0.237 23 A C -1.741 175.736 177.584 -0.178 0.000 1.053 23 A CA -0.408 51.365 52.037 -0.440 0.000 0.755 23 A CB -0.122 18.661 19.000 -0.361 0.000 0.980 23 A HN 0.269 nan 8.150 nan 0.000 0.506 24 P HA 0.126 nan 4.420 nan 0.000 0.264 24 P C -0.585 176.745 177.300 0.049 0.000 1.193 24 P CA 0.331 63.450 63.100 0.031 0.000 0.763 24 P CB 0.378 32.183 31.700 0.175 0.000 0.810 25 Q N 3.359 123.185 119.800 0.042 0.000 2.454 25 Q HA 0.437 4.777 4.340 0.000 0.000 0.255 25 Q C -1.541 174.482 176.000 0.039 0.000 1.034 25 Q CA -0.386 55.443 55.803 0.044 0.000 0.736 25 Q CB 0.305 29.068 28.738 0.041 0.000 1.210 25 Q HN 0.442 nan 8.270 nan 0.000 0.500 26 L N 2.813 124.060 121.223 0.040 0.000 2.365 26 L HA 0.463 4.803 4.340 0.000 0.000 0.273 26 L C -0.160 176.719 176.870 0.015 0.000 1.000 26 L CA -0.968 53.888 54.840 0.027 0.000 0.819 26 L CB 1.880 43.956 42.059 0.028 0.000 1.284 26 L HN 0.496 nan 8.230 nan 0.000 0.418 27 N N 2.775 121.480 118.700 0.008 0.000 3.034 27 N HA 0.231 4.971 4.740 0.000 0.000 0.265 27 N C -0.572 174.935 175.510 -0.004 0.000 1.166 27 N CA -0.232 52.820 53.050 0.002 0.000 1.081 27 N CB 0.243 38.731 38.487 0.002 0.000 1.378 27 N HN 0.414 nan 8.380 nan 0.000 0.520 28 V N -0.706 119.204 119.914 -0.007 0.000 3.336 28 V HA 0.470 4.590 4.120 0.000 0.000 0.314 28 V C 1.099 177.185 176.094 -0.013 0.000 1.088 28 V CA -0.430 61.861 62.300 -0.015 0.000 1.033 28 V CB 1.091 32.898 31.823 -0.026 0.000 1.181 28 V HN 0.131 nan 8.190 nan 0.000 0.449 29 D N -0.089 120.302 120.400 -0.014 0.000 2.149 29 D HA 0.105 4.745 4.640 0.000 0.000 0.201 29 D C 0.543 176.835 176.300 -0.013 0.000 0.972 29 D CA 1.520 55.513 54.000 -0.012 0.000 0.835 29 D CB 0.147 40.941 40.800 -0.010 0.000 0.966 29 D HN 0.390 nan 8.370 nan 0.000 0.476 30 I N 1.804 122.367 120.570 -0.012 0.000 2.405 30 I HA 0.234 4.405 4.170 0.000 0.000 0.280 30 I C 0.002 176.108 176.117 -0.019 0.000 1.027 30 I CA -0.258 61.036 61.300 -0.010 0.000 1.161 30 I CB 0.992 38.999 38.000 0.012 0.000 1.300 30 I HN -0.332 nan 8.210 nan 0.000 0.463 31 R N 6.937 127.422 120.500 -0.025 0.000 2.247 31 R HA 0.540 4.880 4.340 0.000 0.000 0.329 31 R C -0.268 176.009 176.300 -0.038 0.000 1.014 31 R CA -0.399 55.687 56.100 -0.023 0.000 0.907 31 R CB 1.452 31.745 30.300 -0.012 0.000 1.146 31 R HN 0.542 nan 8.270 nan 0.000 0.499 32 L N 3.582 124.773 121.223 -0.054 0.000 3.193 32 L HA 0.182 4.522 4.340 0.000 0.000 0.305 32 L C 0.755 177.578 176.870 -0.078 0.000 1.299 32 L CA -0.113 54.670 54.840 -0.095 0.000 0.904 32 L CB 0.146 42.096 42.059 -0.181 0.000 1.331 32 L HN 0.558 nan 8.230 nan 0.000 0.588 33 N N -2.347 116.338 118.700 -0.024 0.000 2.193 33 N HA 0.044 4.784 4.740 0.000 0.000 0.210 33 N C 0.643 176.156 175.510 0.005 0.000 1.215 33 N CA 0.023 53.078 53.050 0.009 0.000 0.901 33 N CB 0.783 39.313 38.487 0.071 0.000 1.060 33 N HN -0.030 nan 8.380 nan 0.000 0.508 34 T N 0.867 115.428 114.554 0.012 0.000 3.275 34 T HA 0.192 4.542 4.350 0.000 0.000 0.298 34 T C -0.204 174.527 174.700 0.052 0.000 0.988 34 T CA -0.419 61.702 62.100 0.036 0.000 0.936 34 T CB 0.041 68.946 68.868 0.062 0.000 1.159 34 T HN 0.074 nan 8.240 nan 0.000 0.519 35 N N 2.183 120.904 118.700 0.036 0.000 2.725 35 N HA -0.148 4.593 4.740 0.000 0.000 0.249 35 N C -0.339 175.274 175.510 0.172 0.000 1.103 35 N CA 0.798 53.916 53.050 0.114 0.000 0.707 35 N CB -1.104 37.494 38.487 0.186 0.000 1.043 35 N HN 0.655 nan 8.380 nan 0.000 0.553 36 E N 0.479 120.748 120.200 0.115 0.000 2.366 36 E HA 0.144 4.494 4.350 0.000 0.000 0.266 36 E C 0.643 177.329 176.600 0.142 0.000 1.051 36 E CA -0.646 55.830 56.400 0.126 0.000 0.884 36 E CB 0.528 30.276 29.700 0.080 0.000 1.006 36 E HN 0.125 nan 8.360 nan 0.000 0.417 37 N N 3.512 122.329 118.700 0.194 0.000 2.468 37 N HA -0.000 4.740 4.740 0.000 0.000 0.265 37 N C -1.687 173.905 175.510 0.136 0.000 1.199 37 N CA -1.429 51.756 53.050 0.225 0.000 0.928 37 N CB 0.824 39.484 38.487 0.288 0.000 1.059 37 N HN 0.284 nan 8.380 nan 0.000 0.467 38 P HA -0.036 nan 4.420 nan 0.000 0.237 38 P C -0.495 176.677 177.300 -0.214 0.000 1.178 38 P CA 0.608 63.628 63.100 -0.134 0.000 0.766 38 P CB 0.018 31.550 31.700 -0.280 0.000 0.876 39 Y N 1.765 122.106 120.300 0.068 0.000 2.336 39 Y HA 0.317 4.868 4.550 0.000 0.000 0.335 39 Y C -1.727 174.210 175.900 0.061 0.000 1.046 39 Y CA -2.737 55.398 58.100 0.059 0.000 1.198 39 Y CB -0.150 38.346 38.460 0.061 0.000 1.182 39 Y HN -0.047 nan 8.280 nan 0.000 0.502 40 P HA 0.095 nan 4.420 nan 0.000 0.272 40 P C -2.494 174.890 177.300 0.140 0.000 1.223 40 P CA -1.242 61.930 63.100 0.121 0.000 0.784 40 P CB 0.032 31.780 31.700 0.080 0.000 0.923 41 P HA -0.022 nan 4.420 nan 0.000 0.265 41 P C 0.045 177.383 177.300 0.064 0.000 1.187 41 P CA 0.298 63.464 63.100 0.110 0.000 0.766 41 P CB 0.040 31.814 31.700 0.123 0.000 0.820 42 S N 1.380 117.101 115.700 0.034 0.000 2.573 42 S HA 0.019 4.490 4.470 0.000 0.000 0.277 42 S C 1.120 175.711 174.600 -0.015 0.000 1.346 42 S CA -0.294 57.914 58.200 0.013 0.000 1.034 42 S CB 0.392 63.594 63.200 0.004 0.000 0.879 42 S HN 0.452 nan 8.310 nan 0.000 0.528 43 E N 1.838 122.039 120.200 0.001 0.000 2.130 43 E HA -0.221 4.129 4.350 0.000 0.000 0.196 43 E C 2.302 178.886 176.600 -0.027 0.000 0.998 43 E CA 1.454 57.851 56.400 -0.004 0.000 0.806 43 E CB -0.493 29.213 29.700 0.011 0.000 0.738 43 E HN 0.838 nan 8.360 nan 0.000 0.459 44 A N 1.289 124.092 122.820 -0.029 0.000 1.877 44 A HA -0.163 4.157 4.320 0.000 0.000 0.216 44 A C 2.194 179.644 177.584 -0.223 0.000 1.186 44 A CA 1.052 53.077 52.037 -0.021 0.000 0.620 44 A CB -0.713 18.349 19.000 0.104 0.000 0.822 44 A HN 0.272 nan 8.150 nan 0.000 0.443 45 L N -0.174 120.772 121.223 -0.462 0.000 2.012 45 L HA -0.185 4.156 4.340 0.000 0.000 0.210 45 L C 2.451 179.165 176.870 -0.260 0.000 1.073 45 L CA 1.776 56.218 54.840 -0.663 0.000 0.748 45 L CB -0.225 41.594 42.059 -0.401 0.000 0.891 45 L HN 0.240 nan 8.230 nan 0.000 0.431 46 V N -0.064 119.778 119.914 -0.120 0.000 2.307 46 V HA -0.284 3.837 4.120 0.000 0.000 0.245 46 V C 2.783 178.858 176.094 -0.031 0.000 1.045 46 V CA 1.641 63.917 62.300 -0.040 0.000 1.024 46 V CB -1.081 30.736 31.823 -0.010 0.000 0.651 46 V HN 0.605 nan 8.190 nan 0.000 0.449 47 A N 0.074 122.875 122.820 -0.031 0.000 1.892 47 A HA -0.351 3.969 4.320 0.000 0.000 0.218 47 A C 2.124 179.707 177.584 -0.001 0.000 1.188 47 A CA 2.381 54.413 52.037 -0.008 0.000 0.631 47 A CB -0.823 18.180 19.000 0.004 0.000 0.822 47 A HN 0.565 nan 8.150 nan 0.000 0.447 48 D N -0.610 119.785 120.400 -0.009 0.000 2.123 48 D HA -0.139 4.501 4.640 0.000 0.000 0.196 48 D C 1.813 178.121 176.300 0.013 0.000 0.992 48 D CA 1.341 55.358 54.000 0.029 0.000 0.833 48 D CB -0.308 40.551 40.800 0.100 0.000 0.954 48 D HN 0.254 nan 8.370 nan 0.000 0.455 49 L N 0.040 121.258 121.223 -0.008 0.000 2.017 49 L HA -0.143 4.197 4.340 0.000 0.000 0.208 49 L C 2.541 179.419 176.870 0.013 0.000 1.073 49 L CA 1.233 56.080 54.840 0.012 0.000 0.745 49 L CB -0.521 41.556 42.059 0.030 0.000 0.894 49 L HN -0.057 nan 8.230 nan 0.000 0.432 50 V N -0.278 119.640 119.914 0.008 0.000 2.343 50 V HA -0.310 3.810 4.120 0.000 0.000 0.247 50 V C 2.724 178.822 176.094 0.007 0.000 1.051 50 V CA 1.676 63.980 62.300 0.007 0.000 1.036 50 V CB -1.248 30.578 31.823 0.004 0.000 0.654 50 V HN 0.596 nan 8.190 nan 0.000 0.451 51 A N -0.462 122.364 122.820 0.009 0.000 1.933 51 A HA -0.215 4.105 4.320 0.000 0.000 0.218 51 A C 2.384 179.973 177.584 0.008 0.000 1.175 51 A CA 2.432 54.475 52.037 0.010 0.000 0.628 51 A CB -0.892 18.116 19.000 0.014 0.000 0.814 51 A HN 0.507 nan 8.150 nan 0.000 0.444 52 T N -0.495 114.065 114.554 0.010 0.000 2.821 52 T HA -0.080 4.270 4.350 0.000 0.000 0.267 52 T C 1.847 176.549 174.700 0.004 0.000 1.046 52 T CA 1.445 63.550 62.100 0.007 0.000 1.139 52 T CB -0.293 68.580 68.868 0.009 0.000 0.871 52 T HN 0.157 nan 8.240 nan 0.000 0.454 53 V N 1.664 121.580 119.914 0.004 0.000 2.358 53 V HA -0.155 3.965 4.120 0.000 0.000 0.246 53 V C 2.346 178.438 176.094 -0.002 0.000 1.047 53 V CA 1.817 64.117 62.300 0.001 0.000 1.035 53 V CB -0.580 31.244 31.823 0.002 0.000 0.658 53 V HN 0.459 nan 8.190 nan 0.000 0.452 54 D N -0.175 120.225 120.400 -0.001 0.000 2.149 54 D HA -0.212 4.429 4.640 0.000 0.000 0.198 54 D C 2.244 178.543 176.300 -0.002 0.000 0.990 54 D CA 1.362 55.361 54.000 -0.002 0.000 0.839 54 D CB -0.061 40.739 40.800 0.000 0.000 0.948 54 D HN 0.322 nan 8.370 nan 0.000 0.460 55 K N -0.181 120.219 120.400 -0.001 0.000 2.031 55 K HA -0.068 4.252 4.320 0.000 0.000 0.205 55 K C 2.183 178.781 176.600 -0.004 0.000 1.049 55 K CA 1.322 57.608 56.287 -0.002 0.000 0.939 55 K CB -0.111 32.389 32.500 -0.000 0.000 0.717 55 K HN 0.367 nan 8.250 nan 0.000 0.438 56 I N -2.725 117.842 120.570 -0.005 0.000 3.427 56 I HA 0.178 4.348 4.170 0.000 0.000 0.288 56 I C 1.954 178.063 176.117 -0.012 0.000 1.249 56 I CA 0.590 61.886 61.300 -0.008 0.000 1.421 56 I CB 0.100 38.095 38.000 -0.008 0.000 1.086 56 I HN -0.091 nan 8.210 nan 0.000 0.448 57 A N 2.303 125.115 122.820 -0.012 0.000 1.948 57 A HA -0.246 4.074 4.320 0.000 0.000 0.220 57 A C 2.395 179.967 177.584 -0.020 0.000 1.177 57 A CA 2.728 54.755 52.037 -0.017 0.000 0.636 57 A CB -1.628 17.363 19.000 -0.014 0.000 0.815 57 A HN 0.662 nan 8.150 nan 0.000 0.449 58 T N -2.304 112.241 114.554 -0.016 0.000 3.098 58 T HA 0.001 4.352 4.350 0.000 0.000 0.266 58 T C 0.836 175.525 174.700 -0.019 0.000 1.145 58 T CA 1.219 63.309 62.100 -0.016 0.000 1.092 58 T CB -0.049 68.812 68.868 -0.011 0.000 0.908 58 T HN 0.508 nan 8.240 nan 0.000 0.526 59 E N 0.312 120.500 120.200 -0.020 0.000 2.558 59 E HA 0.309 4.660 4.350 0.000 0.000 0.205 59 E C 1.341 177.918 176.600 -0.039 0.000 1.006 59 E CA -0.124 56.262 56.400 -0.023 0.000 0.961 59 E CB 0.250 29.943 29.700 -0.012 0.000 1.044 59 E HN 0.500 nan 8.360 nan 0.000 0.465 60 L N 1.807 123.002 121.223 -0.046 0.000 2.551 60 L HA -0.092 4.248 4.340 0.000 0.000 0.228 60 L C 1.956 178.765 176.870 -0.102 0.000 1.153 60 L CA 0.511 55.311 54.840 -0.068 0.000 0.851 60 L CB -0.327 41.698 42.059 -0.057 0.000 0.959 60 L HN 0.140 nan 8.230 nan 0.000 0.451 61 N N -0.124 118.523 118.700 -0.089 0.000 2.457 61 N HA -0.088 4.652 4.740 0.000 0.000 0.180 61 N C 0.669 176.089 175.510 -0.149 0.000 1.050 61 N CA 0.462 53.446 53.050 -0.110 0.000 0.906 61 N CB 0.054 38.499 38.487 -0.070 0.000 0.968 61 N HN 0.177 nan 8.380 nan 0.000 0.445 62 R N 0.460 120.889 120.500 -0.119 0.000 2.500 62 R HA 0.232 4.572 4.340 0.000 0.000 0.277 62 R C -0.377 175.818 176.300 -0.174 0.000 1.026 62 R CA -0.808 55.233 56.100 -0.099 0.000 1.058 62 R CB 0.234 30.524 30.300 -0.017 0.000 1.078 62 R HN 0.110 nan 8.270 nan 0.000 0.509 63 Y N 2.427 122.632 120.300 -0.158 0.000 2.683 63 Y HA -0.001 4.549 4.550 0.000 0.000 0.340 63 Y C -1.041 174.812 175.900 -0.079 0.000 1.245 63 Y CA -0.229 57.719 58.100 -0.255 0.000 1.485 63 Y CB -0.203 37.859 38.460 -0.663 0.000 1.328 63 Y HN 0.405 nan 8.280 nan 0.000 0.603 64 P HA -0.043 nan 4.420 nan 0.000 0.273 64 P C -0.548 176.911 177.300 0.265 0.000 1.250 64 P CA -0.449 62.752 63.100 0.169 0.000 0.793 64 P CB 0.602 32.387 31.700 0.142 0.000 1.011 65 E N 1.312 121.609 120.200 0.161 0.000 2.406 65 E HA -0.073 4.277 4.350 0.000 0.000 0.258 65 E C 1.207 177.897 176.600 0.150 0.000 1.043 65 E CA 0.159 56.647 56.400 0.147 0.000 0.929 65 E CB 0.189 29.934 29.700 0.074 0.000 0.969 65 E HN 0.340 nan 8.360 nan 0.000 0.462 66 R N 3.599 124.193 120.500 0.156 0.000 2.091 66 R HA -0.149 4.191 4.340 0.000 0.000 0.238 66 R C 0.318 176.648 176.300 0.050 0.000 1.136 66 R CA 1.634 57.737 56.100 0.005 0.000 0.959 66 R CB 0.310 30.454 30.300 -0.260 0.000 0.856 66 R HN 0.430 nan 8.270 nan 0.000 0.437 67 D N -0.543 119.900 120.400 0.071 0.000 2.340 67 D HA 0.137 4.777 4.640 0.000 0.000 0.217 67 D C 0.248 176.566 176.300 0.030 0.000 1.081 67 D CA 0.704 54.779 54.000 0.124 0.000 0.842 67 D CB 0.800 41.688 40.800 0.147 0.000 0.934 67 D HN 0.281 nan 8.370 nan 0.000 0.511 68 A N 0.261 123.067 122.820 -0.023 0.000 2.704 68 A HA -0.253 4.067 4.320 0.000 0.000 0.299 68 A C 1.849 179.392 177.584 -0.068 0.000 1.507 68 A CA 0.565 52.550 52.037 -0.087 0.000 0.776 68 A CB -2.086 16.790 19.000 -0.207 0.000 1.027 68 A HN 0.206 nan 8.150 nan 0.000 0.475 69 V N -0.503 119.401 119.914 -0.017 0.000 2.287 69 V HA -0.308 3.812 4.120 0.000 0.000 0.248 69 V C 2.388 178.465 176.094 -0.029 0.000 1.053 69 V CA 2.795 65.091 62.300 -0.006 0.000 1.027 69 V CB -0.461 31.372 31.823 0.016 0.000 0.646 69 V HN 0.889 nan 8.190 nan 0.000 0.447 70 E N -0.320 119.860 120.200 -0.034 0.000 2.077 70 E HA -0.260 4.090 4.350 0.000 0.000 0.193 70 E C 2.180 178.736 176.600 -0.074 0.000 0.989 70 E CA 1.500 57.873 56.400 -0.044 0.000 0.800 70 E CB -0.150 29.528 29.700 -0.037 0.000 0.746 70 E HN 0.441 nan 8.360 nan 0.000 0.452 71 L N 1.296 122.459 121.223 -0.099 0.000 2.046 71 L HA -0.157 4.183 4.340 0.000 0.000 0.208 71 L C 2.203 178.974 176.870 -0.164 0.000 1.077 71 L CA 1.772 56.524 54.840 -0.147 0.000 0.747 71 L CB -0.295 41.659 42.059 -0.175 0.000 0.896 71 L HN -0.004 nan 8.230 nan 0.000 0.432 72 R N -0.483 119.936 120.500 -0.135 0.000 2.092 72 R HA -0.113 4.228 4.340 0.000 0.000 0.231 72 R C 1.945 178.197 176.300 -0.079 0.000 1.119 72 R CA 1.224 57.253 56.100 -0.118 0.000 0.970 72 R CB -0.452 29.808 30.300 -0.066 0.000 0.864 72 R HN 0.418 nan 8.270 nan 0.000 0.440 73 D N 0.634 121.000 120.400 -0.057 0.000 2.104 73 D HA -0.163 4.477 4.640 0.000 0.000 0.194 73 D C 1.765 178.036 176.300 -0.049 0.000 0.994 73 D CA 1.203 55.180 54.000 -0.038 0.000 0.830 73 D CB -0.014 40.769 40.800 -0.029 0.000 0.959 73 D HN 0.167 nan 8.370 nan 0.000 0.452 74 E N 0.204 120.359 120.200 -0.076 0.000 2.152 74 E HA -0.027 4.324 4.350 0.000 0.000 0.192 74 E C 2.523 179.072 176.600 -0.085 0.000 0.983 74 E CA 0.064 56.419 56.400 -0.075 0.000 0.818 74 E CB -0.163 29.477 29.700 -0.101 0.000 0.758 74 E HN 0.362 nan 8.360 nan 0.000 0.467 75 L N 0.477 121.600 121.223 -0.166 0.000 2.056 75 L HA -0.114 4.226 4.340 0.000 0.000 0.207 75 L C 2.479 179.308 176.870 -0.068 0.000 1.078 75 L CA 1.114 55.810 54.840 -0.240 0.000 0.749 75 L CB -0.452 41.314 42.059 -0.489 0.000 0.901 75 L HN 0.054 nan 8.230 nan 0.000 0.433 76 A N -0.110 122.684 122.820 -0.044 0.000 1.930 76 A HA -0.113 4.207 4.320 0.000 0.000 0.217 76 A C 2.510 180.105 177.584 0.019 0.000 1.175 76 A CA 1.533 53.575 52.037 0.008 0.000 0.627 76 A CB -0.576 18.429 19.000 0.009 0.000 0.815 76 A HN 0.391 nan 8.150 nan 0.000 0.443 77 A N -1.244 121.587 122.820 0.018 0.000 1.898 77 A HA -0.085 4.235 4.320 0.000 0.000 0.216 77 A C 2.124 179.738 177.584 0.050 0.000 1.181 77 A CA 1.634 53.685 52.037 0.024 0.000 0.620 77 A CB -0.832 18.180 19.000 0.019 0.000 0.819 77 A HN 0.747 nan 8.150 nan 0.000 0.442 78 Y N 0.605 120.897 120.300 -0.015 0.000 2.097 78 Y HA -0.216 4.334 4.550 0.000 0.000 0.282 78 Y C 2.031 177.962 175.900 0.051 0.000 1.152 78 Y CA 1.718 59.837 58.100 0.031 0.000 1.136 78 Y CB -0.209 38.289 38.460 0.062 0.000 0.975 78 Y HN 0.227 nan 8.280 nan 0.000 0.498 79 I N -0.076 120.441 120.570 -0.089 0.000 2.226 79 I HA -0.285 3.885 4.170 0.000 0.000 0.245 79 I C 2.214 178.250 176.117 -0.135 0.000 1.100 79 I CA 1.918 63.138 61.300 -0.133 0.000 1.374 79 I CB -1.565 36.491 38.000 0.092 0.000 1.057 79 I HN 0.300 nan 8.210 nan 0.000 0.413 80 T N 0.688 115.200 114.554 -0.070 0.000 2.652 80 T HA -0.250 4.100 4.350 0.000 0.000 0.267 80 T C 2.031 176.679 174.700 -0.086 0.000 1.039 80 T CA 1.606 63.674 62.100 -0.053 0.000 1.153 80 T CB -0.145 68.709 68.868 -0.023 0.000 0.863 80 T HN 0.276 nan 8.240 nan 0.000 0.428 81 K N 0.303 120.634 120.400 -0.114 0.000 2.025 81 K HA -0.144 4.176 4.320 0.000 0.000 0.207 81 K C 2.542 179.036 176.600 -0.176 0.000 1.049 81 K CA 1.346 57.563 56.287 -0.117 0.000 0.933 81 K CB -0.098 32.351 32.500 -0.085 0.000 0.714 81 K HN 0.152 nan 8.250 nan 0.000 0.438 82 Q N 0.353 119.951 119.800 -0.336 0.000 2.016 82 Q HA -0.115 4.226 4.340 0.000 0.000 0.200 82 Q C 1.711 177.595 176.000 -0.194 0.000 0.978 82 Q CA 2.658 58.242 55.803 -0.366 0.000 0.833 82 Q CB -0.324 27.945 28.738 -0.782 0.000 0.895 82 Q HN 0.431 nan 8.270 nan 0.000 0.427 83 T N -4.707 109.753 114.554 -0.158 0.000 3.044 83 T HA 0.356 4.706 4.350 0.000 0.000 0.250 83 T C 1.335 176.006 174.700 -0.048 0.000 1.081 83 T CA 0.524 62.579 62.100 -0.075 0.000 1.040 83 T CB 0.290 69.135 68.868 -0.038 0.000 0.962 83 T HN 0.551 nan 8.240 nan 0.000 0.506 84 G N 0.878 109.644 108.800 -0.057 0.000 2.184 84 G HA2 -0.229 3.732 3.960 0.000 0.000 0.264 84 G HA3 -0.229 3.732 3.960 0.000 0.000 0.264 84 G C 0.039 174.929 174.900 -0.018 0.000 0.975 84 G CA 0.082 45.161 45.100 -0.034 0.000 0.642 84 G HN 0.748 nan 8.290 nan 0.000 0.536 85 V N 1.389 121.295 119.914 -0.012 0.000 2.383 85 V HA 0.706 4.826 4.120 0.000 0.000 0.275 85 V C 0.935 177.033 176.094 0.007 0.000 1.036 85 V CA -0.394 61.909 62.300 0.005 0.000 0.889 85 V CB 1.301 33.136 31.823 0.021 0.000 0.985 85 V HN 1.091 nan 8.190 nan 0.000 0.459 86 A N 6.058 128.884 122.820 0.009 0.000 2.484 86 A HA 0.550 4.870 4.320 0.000 0.000 0.268 86 A C -0.011 177.589 177.584 0.026 0.000 1.114 86 A CA 0.035 52.080 52.037 0.012 0.000 0.780 86 A CB -0.184 18.822 19.000 0.010 0.000 1.061 86 A HN 1.378 nan 8.150 nan 0.000 0.505 87 V N 0.676 120.607 119.914 0.029 0.000 3.114 87 V HA 0.940 5.060 4.120 0.000 0.000 0.308 87 V C -0.090 176.026 176.094 0.037 0.000 1.168 87 V CA -0.045 62.282 62.300 0.044 0.000 1.015 87 V CB 1.449 33.311 31.823 0.064 0.000 1.050 87 V HN 1.214 nan 8.190 nan 0.000 0.433 88 T N -0.445 114.135 114.554 0.044 0.000 2.841 88 T HA 0.488 4.838 4.350 0.000 0.000 0.276 88 T C 1.112 175.837 174.700 0.041 0.000 1.003 88 T CA -0.176 61.945 62.100 0.035 0.000 0.995 88 T CB 1.729 70.617 68.868 0.033 0.000 1.260 88 T HN 1.099 nan 8.240 nan 0.000 0.581 89 R N 0.381 120.899 120.500 0.031 0.000 2.170 89 R HA -0.125 4.215 4.340 0.000 0.000 0.242 89 R C 0.917 177.257 176.300 0.067 0.000 1.145 89 R CA 1.872 57.993 56.100 0.034 0.000 0.984 89 R CB -0.941 29.374 30.300 0.025 0.000 0.869 89 R HN 0.551 nan 8.270 nan 0.000 0.455 90 D N 0.847 121.290 120.400 0.071 0.000 2.309 90 D HA -0.092 4.548 4.640 0.000 0.000 0.212 90 D C 0.841 177.210 176.300 0.116 0.000 0.968 90 D CA 0.804 54.858 54.000 0.090 0.000 0.882 90 D CB -0.182 40.663 40.800 0.074 0.000 0.918 90 D HN 0.417 nan 8.370 nan 0.000 0.503 91 N N -0.033 118.734 118.700 0.111 0.000 2.336 91 N HA 0.047 4.787 4.740 0.000 0.000 0.189 91 N C 0.036 175.627 175.510 0.136 0.000 1.113 91 N CA 0.083 53.220 53.050 0.145 0.000 0.858 91 N CB 1.233 39.798 38.487 0.130 0.000 0.970 91 N HN 0.148 nan 8.380 nan 0.000 0.471 92 L N -0.125 121.148 121.223 0.084 0.000 2.362 92 L HA 0.473 4.813 4.340 0.000 0.000 0.271 92 L C -0.997 175.879 176.870 0.009 0.000 1.002 92 L CA -0.497 54.355 54.840 0.021 0.000 0.818 92 L CB 2.491 44.555 42.059 0.009 0.000 1.298 92 L HN 0.030 nan 8.230 nan 0.000 0.420 93 W N 3.730 124.752 121.300 -0.462 0.000 3.042 93 W HA 0.780 5.440 4.660 0.000 0.000 0.337 93 W C -1.460 174.933 176.519 -0.210 0.000 1.086 93 W CA -0.824 56.261 57.345 -0.432 0.000 1.236 93 W CB 2.061 31.023 29.460 -0.830 0.000 1.381 93 W HN 0.607 nan 8.180 nan 0.000 0.472 94 A N 3.305 125.644 122.820 -0.801 0.000 2.337 94 A HA 0.978 5.298 4.320 0.000 0.000 0.331 94 A C -1.077 176.206 177.584 -0.502 0.000 1.137 94 A CA -0.138 51.614 52.037 -0.475 0.000 0.807 94 A CB 1.583 20.365 19.000 -0.363 0.000 1.250 94 A HN 1.110 nan 8.150 nan 0.000 0.468 95 A N 0.721 123.467 122.820 -0.123 0.000 2.529 95 A HA 0.643 4.964 4.320 0.000 0.000 0.296 95 A C -0.943 176.659 177.584 0.030 0.000 1.205 95 A CA -0.820 51.255 52.037 0.064 0.000 0.671 95 A CB 0.562 19.733 19.000 0.284 0.000 1.301 95 A HN 0.681 nan 8.150 nan 0.000 0.450 96 N N 1.346 120.092 118.700 0.077 0.000 2.671 96 N HA 0.399 5.139 4.740 0.000 0.000 0.274 96 N C 0.535 176.083 175.510 0.063 0.000 1.188 96 N CA 1.502 54.578 53.050 0.043 0.000 1.065 96 N CB -0.084 38.432 38.487 0.047 0.000 1.415 96 N HN 1.509 nan 8.380 nan 0.000 0.511 97 G N 0.728 109.562 108.800 0.058 0.000 2.846 97 G HA2 -0.267 3.693 3.960 0.000 0.000 0.660 97 G HA3 -0.267 3.693 3.960 0.000 0.000 0.660 97 G C 0.787 175.745 174.900 0.096 0.000 1.464 97 G CA -0.338 44.802 45.100 0.066 0.000 0.891 97 G HN 0.350 nan 8.290 nan 0.000 0.552 98 S N 0.157 115.909 115.700 0.087 0.000 2.419 98 S HA -0.151 4.319 4.470 0.000 0.000 0.235 98 S C 2.138 176.822 174.600 0.140 0.000 1.019 98 S CA 1.810 60.079 58.200 0.115 0.000 0.982 98 S CB -0.342 62.909 63.200 0.086 0.000 0.789 98 S HN 0.661 nan 8.310 nan 0.000 0.490 99 N N 0.853 119.617 118.700 0.106 0.000 2.104 99 N HA -0.183 4.557 4.740 0.000 0.000 0.190 99 N C 1.918 177.488 175.510 0.100 0.000 1.024 99 N CA 1.374 54.468 53.050 0.074 0.000 0.853 99 N CB -0.075 38.419 38.487 0.010 0.000 1.008 99 N HN 0.518 nan 8.380 nan 0.000 0.424 100 E N 0.497 120.772 120.200 0.125 0.000 2.122 100 E HA -0.072 4.278 4.350 0.000 0.000 0.190 100 E C 1.836 178.572 176.600 0.227 0.000 0.977 100 E CA 0.314 56.812 56.400 0.162 0.000 0.820 100 E CB 0.229 30.036 29.700 0.178 0.000 0.770 100 E HN 0.171 nan 8.360 nan 0.000 0.462 101 I N 1.573 122.300 120.570 0.262 0.000 2.113 101 I HA -0.334 3.837 4.170 0.000 0.000 0.242 101 I C 2.420 178.716 176.117 0.299 0.000 1.064 101 I CA 1.482 62.998 61.300 0.360 0.000 1.320 101 I CB -1.055 37.156 38.000 0.352 0.000 1.028 101 I HN 0.320 nan 8.210 nan 0.000 0.406 102 L N -0.386 120.973 121.223 0.226 0.000 2.109 102 L HA -0.211 4.129 4.340 0.000 0.000 0.207 102 L C 2.629 179.607 176.870 0.180 0.000 1.086 102 L CA 1.011 55.973 54.840 0.202 0.000 0.760 102 L CB -0.600 41.574 42.059 0.191 0.000 0.910 102 L HN 0.366 nan 8.230 nan 0.000 0.437 103 Q N 0.296 120.186 119.800 0.152 0.000 2.030 103 Q HA -0.291 4.049 4.340 0.000 0.000 0.204 103 Q C 2.218 178.294 176.000 0.126 0.000 0.986 103 Q CA 1.985 57.860 55.803 0.120 0.000 0.843 103 Q CB -0.034 28.763 28.738 0.098 0.000 0.904 103 Q HN 0.532 nan 8.270 nan 0.000 0.420 104 Q N -0.016 119.878 119.800 0.156 0.000 2.096 104 Q HA -0.159 4.182 4.340 0.000 0.000 0.204 104 Q C 2.247 178.326 176.000 0.132 0.000 0.982 104 Q CA 1.467 57.355 55.803 0.141 0.000 0.850 104 Q CB -0.070 28.792 28.738 0.207 0.000 0.901 104 Q HN 0.422 nan 8.270 nan 0.000 0.422 105 L N 0.047 121.375 121.223 0.175 0.000 2.056 105 L HA -0.196 4.144 4.340 0.000 0.000 0.207 105 L C 2.230 179.224 176.870 0.207 0.000 1.078 105 L CA 0.836 55.800 54.840 0.207 0.000 0.749 105 L CB -0.307 41.815 42.059 0.105 0.000 0.901 105 L HN 0.238 nan 8.230 nan 0.000 0.433 106 L N -0.821 120.494 121.223 0.153 0.000 2.083 106 L HA -0.251 4.090 4.340 0.000 0.000 0.209 106 L C 2.703 179.620 176.870 0.079 0.000 1.083 106 L CA 1.323 56.240 54.840 0.129 0.000 0.752 106 L CB -0.455 41.690 42.059 0.143 0.000 0.899 106 L HN 0.314 nan 8.230 nan 0.000 0.433 107 Q N -0.608 119.224 119.800 0.053 0.000 2.084 107 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 107 Q C 2.373 178.325 176.000 -0.081 0.000 0.978 107 Q CA 1.710 57.515 55.803 0.004 0.000 0.844 107 Q CB -0.236 28.503 28.738 0.002 0.000 0.898 107 Q HN 0.594 nan 8.270 nan 0.000 0.426 108 A N -0.590 122.134 122.820 -0.160 0.000 1.935 108 A HA -0.020 4.301 4.320 0.000 0.000 0.214 108 A C 1.207 178.377 177.584 -0.689 0.000 1.178 108 A CA 0.855 52.603 52.037 -0.481 0.000 0.640 108 A CB 0.011 18.619 19.000 -0.653 0.000 0.825 108 A HN 0.332 nan 8.150 nan 0.000 0.447 109 F N -1.718 118.229 119.950 -0.006 0.000 2.767 109 F HA 0.360 4.887 4.527 0.000 0.000 0.323 109 F C 1.549 177.334 175.800 -0.025 0.000 1.091 109 F CA -0.037 57.954 58.000 -0.015 0.000 1.192 109 F CB 0.276 39.273 39.000 -0.005 0.000 1.056 109 F HN 0.269 nan 8.300 nan 0.000 0.571 110 G N -0.642 108.221 108.800 0.106 0.000 3.310 110 G HA2 0.580 4.540 3.960 0.000 0.000 0.176 110 G HA3 0.580 4.540 3.960 0.000 0.000 0.176 110 G C 0.349 175.279 174.900 0.050 0.000 1.307 110 G CA -0.071 45.072 45.100 0.071 0.000 0.935 110 G HN 0.515 nan 8.290 nan 0.000 0.628 111 G N -0.948 107.893 108.800 0.069 0.000 2.660 111 G HA2 0.020 3.981 3.960 0.000 0.000 0.247 111 G HA3 0.020 3.981 3.960 0.000 0.000 0.247 111 G C -3.012 171.932 174.900 0.074 0.000 1.328 111 G CA -0.335 44.811 45.100 0.077 0.000 0.884 111 G HN 0.651 nan 8.290 nan 0.000 0.531 112 P HA 0.330 nan 4.420 nan 0.000 0.262 112 P C 1.108 178.421 177.300 0.021 0.000 1.182 112 P CA 2.408 65.531 63.100 0.039 0.000 0.761 112 P CB 0.493 32.185 31.700 -0.014 0.000 0.795 113 G N 2.369 111.183 108.800 0.024 0.000 2.225 113 G HA2 -0.254 3.706 3.960 0.000 0.000 0.254 113 G HA3 -0.254 3.706 3.960 0.000 0.000 0.254 113 G C 0.311 175.221 174.900 0.016 0.000 0.988 113 G CA -0.250 44.858 45.100 0.014 0.000 0.625 113 G HN 0.557 nan 8.290 nan 0.000 0.527 114 R N 0.172 120.687 120.500 0.025 0.000 2.856 114 R HA 0.724 5.064 4.340 0.000 0.000 0.258 114 R C 0.072 176.385 176.300 0.022 0.000 1.066 114 R CA 0.084 56.195 56.100 0.019 0.000 1.045 114 R CB 1.450 31.764 30.300 0.024 0.000 1.178 114 R HN 0.390 nan 8.270 nan 0.000 0.499 115 T N -2.293 112.260 114.554 -0.002 0.000 2.907 115 T HA 0.764 5.115 4.350 0.000 0.000 0.292 115 T C -0.886 173.781 174.700 -0.054 0.000 1.043 115 T CA -0.920 61.171 62.100 -0.016 0.000 1.003 115 T CB 2.048 70.889 68.868 -0.045 0.000 1.084 115 T HN 0.627 nan 8.240 nan 0.000 0.483 116 A N 2.183 124.972 122.820 -0.052 0.000 2.355 116 A HA 0.802 5.122 4.320 0.000 0.000 0.317 116 A C -0.951 176.443 177.584 -0.317 0.000 1.094 116 A CA -0.930 51.032 52.037 -0.125 0.000 0.764 116 A CB 1.232 20.291 19.000 0.099 0.000 1.230 116 A HN 1.052 nan 8.150 nan 0.000 0.448 117 L N 2.409 123.399 121.223 -0.389 0.000 2.322 117 L HA 0.820 5.161 4.340 0.000 0.000 0.281 117 L C 0.250 176.792 176.870 -0.547 0.000 1.014 117 L CA -0.131 54.372 54.840 -0.562 0.000 0.815 117 L CB 1.770 43.567 42.059 -0.437 0.000 1.247 117 L HN 0.833 nan 8.230 nan 0.000 0.421 118 G N 2.811 111.185 108.800 -0.709 0.000 2.574 118 G HA2 0.578 4.538 3.960 0.000 0.000 0.299 118 G HA3 0.578 4.538 3.960 0.000 0.000 0.299 118 G C -1.679 172.923 174.900 -0.497 0.000 1.298 118 G CA -0.514 44.385 45.100 -0.335 0.000 0.952 118 G HN 0.370 nan 8.290 nan 0.000 0.477 119 F N 1.265 121.321 119.950 0.176 0.000 2.308 119 F HA 0.382 4.909 4.527 0.000 0.000 0.370 119 F C 0.608 176.500 175.800 0.153 0.000 1.100 119 F CA -0.854 57.224 58.000 0.129 0.000 1.108 119 F CB 1.534 40.594 39.000 0.100 0.000 1.293 119 F HN 0.029 nan 8.300 nan 0.000 0.478 120 Q N 4.772 124.730 119.800 0.264 0.000 2.259 120 Q HA 0.325 4.665 4.340 0.000 0.000 0.246 120 Q C -2.437 173.685 176.000 0.203 0.000 0.920 120 Q CA -2.058 53.874 55.803 0.214 0.000 0.895 120 Q CB 1.419 30.273 28.738 0.193 0.000 1.220 120 Q HN 0.267 nan 8.270 nan 0.000 0.439 121 P HA 0.148 nan 4.420 nan 0.000 0.281 121 P C -0.530 176.808 177.300 0.063 0.000 1.252 121 P CA 0.085 63.246 63.100 0.101 0.000 0.778 121 P CB 1.492 33.223 31.700 0.052 0.000 0.895 122 S N 2.542 118.280 115.700 0.063 0.000 3.359 122 S HA 0.325 4.795 4.470 0.000 0.000 0.323 122 S C -1.110 173.487 174.600 -0.004 0.000 1.143 122 S CA -0.777 57.455 58.200 0.052 0.000 0.989 122 S CB 0.034 63.333 63.200 0.165 0.000 1.375 122 S HN 0.406 nan 8.310 nan 0.000 0.728 123 Y N 2.394 122.533 120.300 -0.270 0.000 2.632 123 Y HA 0.053 4.603 4.550 0.000 0.000 0.329 123 Y C 1.889 177.568 175.900 -0.369 0.000 1.174 123 Y CA 0.495 58.347 58.100 -0.414 0.000 1.469 123 Y CB 0.697 38.683 38.460 -0.790 0.000 1.242 123 Y HN 0.811 nan 8.280 nan 0.000 0.540 124 S N 4.464 119.952 115.700 -0.353 0.000 2.387 124 S HA -0.244 4.226 4.470 0.000 0.000 0.230 124 S C 1.564 175.805 174.600 -0.599 0.000 1.035 124 S CA 1.319 59.296 58.200 -0.372 0.000 1.014 124 S CB -0.122 62.993 63.200 -0.140 0.000 0.836 124 S HN 0.800 nan 8.310 nan 0.000 0.466 125 M N 1.406 120.305 119.600 -1.169 0.000 2.319 125 M HA 0.072 4.552 4.480 0.000 0.000 0.265 125 M C 1.913 177.887 176.300 -0.543 0.000 1.068 125 M CA 1.066 55.819 55.300 -0.911 0.000 1.118 125 M CB -1.600 30.337 32.600 -1.105 0.000 1.395 125 M HN 0.545 nan 8.290 nan 0.000 0.435 126 H N 0.259 118.947 119.070 -0.638 0.000 2.267 126 H HA -0.111 4.445 4.556 0.000 0.000 0.297 126 H C -0.551 174.426 175.328 -0.585 0.000 1.080 126 H CA 1.388 57.055 56.048 -0.635 0.000 1.278 126 H CB -1.236 28.077 29.762 -0.748 0.000 1.365 126 H HN 0.271 nan 8.280 nan 0.000 0.489 127 P HA -0.121 nan 4.420 nan 0.000 0.218 127 P C 1.439 178.499 177.300 -0.400 0.000 1.149 127 P CA 1.266 63.801 63.100 -0.942 0.000 0.817 127 P CB -0.066 30.917 31.700 -1.195 0.000 0.785 128 I N -0.770 119.603 120.570 -0.328 0.000 2.226 128 I HA -0.217 3.953 4.170 0.000 0.000 0.245 128 I C 2.533 178.555 176.117 -0.158 0.000 1.100 128 I CA 1.325 62.499 61.300 -0.211 0.000 1.374 128 I CB -0.614 37.260 38.000 -0.211 0.000 1.057 128 I HN -0.131 nan 8.210 nan 0.000 0.413 129 L N 0.322 121.452 121.223 -0.155 0.000 2.109 129 L HA -0.125 4.216 4.340 0.000 0.000 0.207 129 L C 2.839 179.703 176.870 -0.011 0.000 1.086 129 L CA 1.044 55.841 54.840 -0.072 0.000 0.760 129 L CB -0.653 41.383 42.059 -0.038 0.000 0.910 129 L HN 0.208 nan 8.230 nan 0.000 0.437 130 A N 0.253 123.085 122.820 0.019 0.000 1.858 130 A HA -0.271 4.050 4.320 0.000 0.000 0.216 130 A C 2.388 179.995 177.584 0.038 0.000 1.190 130 A CA 2.029 54.134 52.037 0.114 0.000 0.617 130 A CB -0.505 18.659 19.000 0.274 0.000 0.827 130 A HN 0.288 nan 8.150 nan 0.000 0.443 131 K N -0.805 119.583 120.400 -0.021 0.000 2.103 131 K HA -0.140 4.180 4.320 0.000 0.000 0.207 131 K C 1.899 178.397 176.600 -0.170 0.000 1.048 131 K CA 1.365 57.611 56.287 -0.069 0.000 0.930 131 K CB -0.492 31.962 32.500 -0.075 0.000 0.716 131 K HN 0.439 nan 8.250 nan 0.000 0.444 132 G N -0.354 108.363 108.800 -0.139 0.000 2.509 132 G HA2 -0.175 3.785 3.960 0.000 0.000 0.218 132 G HA3 -0.175 3.785 3.960 0.000 0.000 0.218 132 G C 1.163 175.958 174.900 -0.175 0.000 1.124 132 G CA 1.247 46.248 45.100 -0.165 0.000 0.776 132 G HN 0.508 nan 8.290 nan 0.000 0.547 133 T N -3.437 111.056 114.554 -0.102 0.000 3.092 133 T HA 0.196 4.547 4.350 0.000 0.000 0.258 133 T C 0.789 175.533 174.700 0.074 0.000 1.031 133 T CA -0.015 62.086 62.100 0.001 0.000 0.925 133 T CB -0.237 68.666 68.868 0.058 0.000 1.036 133 T HN 0.459 nan 8.240 nan 0.000 0.544 134 H N 0.469 119.561 119.070 0.036 0.000 2.862 134 H HA -0.115 4.441 4.556 0.000 0.000 0.290 134 H C -0.750 174.605 175.328 0.044 0.000 1.211 134 H CA 1.113 57.182 56.048 0.034 0.000 1.140 134 H CB -2.395 27.379 29.762 0.021 0.000 1.341 134 H HN 0.456 nan 8.280 nan 0.000 0.392 135 T N 0.984 115.608 114.554 0.116 0.000 2.771 135 T HA 0.241 4.591 4.350 0.000 0.000 0.281 135 T C 0.551 175.328 174.700 0.129 0.000 0.982 135 T CA -0.685 61.485 62.100 0.117 0.000 0.978 135 T CB 2.515 71.459 68.868 0.127 0.000 0.930 135 T HN 0.233 nan 8.240 nan 0.000 0.447 136 E N 2.408 122.674 120.200 0.109 0.000 2.384 136 E HA 0.164 4.514 4.350 0.000 0.000 0.266 136 E C -1.152 175.543 176.600 0.158 0.000 1.012 136 E CA -0.226 56.243 56.400 0.115 0.000 0.901 136 E CB 0.472 30.212 29.700 0.066 0.000 0.967 136 E HN 0.470 nan 8.360 nan 0.000 0.435 137 F N 5.490 125.457 119.950 0.029 0.000 2.427 137 F HA 0.400 4.927 4.527 0.000 0.000 0.346 137 F C -0.584 175.224 175.800 0.014 0.000 1.120 137 F CA -0.716 57.305 58.000 0.035 0.000 1.033 137 F CB 0.684 39.709 39.000 0.042 0.000 1.126 137 F HN 0.314 nan 8.300 nan 0.000 0.462 138 I N 6.177 126.425 120.570 -0.537 0.000 2.339 138 I HA 0.442 4.612 4.170 0.000 0.000 0.290 138 I C -0.218 175.529 176.117 -0.617 0.000 0.994 138 I CA -0.800 60.261 61.300 -0.398 0.000 1.191 138 I CB 1.371 39.192 38.000 -0.298 0.000 1.343 138 I HN 0.706 nan 8.210 nan 0.000 0.458 139 A N 7.038 129.726 122.820 -0.219 0.000 2.260 139 A HA 0.661 4.981 4.320 0.000 0.000 0.308 139 A C -0.457 177.091 177.584 -0.059 0.000 1.254 139 A CA -0.394 51.603 52.037 -0.066 0.000 0.874 139 A CB 0.780 19.893 19.000 0.189 0.000 1.153 139 A HN 0.483 nan 8.150 nan 0.000 0.527 140 V N 2.793 122.662 119.914 -0.076 0.000 2.459 140 V HA 0.331 4.451 4.120 0.000 0.000 0.295 140 V C 0.419 176.611 176.094 0.164 0.000 1.029 140 V CA -0.437 61.889 62.300 0.044 0.000 0.874 140 V CB 1.900 33.764 31.823 0.068 0.000 0.985 140 V HN 0.932 nan 8.190 nan 0.000 0.438 141 S N 4.822 120.609 115.700 0.145 0.000 2.548 141 S HA 0.440 4.910 4.470 0.000 0.000 0.277 141 S C 0.297 174.990 174.600 0.157 0.000 1.315 141 S CA -0.552 57.734 58.200 0.143 0.000 1.050 141 S CB 0.554 63.809 63.200 0.091 0.000 0.918 141 S HN 0.620 nan 8.310 nan 0.000 0.497 142 R N 0.857 121.452 120.500 0.158 0.000 2.726 142 R HA 0.392 4.732 4.340 0.000 0.000 0.272 142 R C 1.255 177.574 176.300 0.032 0.000 1.097 142 R CA -0.072 56.095 56.100 0.112 0.000 1.198 142 R CB 0.145 30.539 30.300 0.155 0.000 1.114 142 R HN 0.743 nan 8.270 nan 0.000 0.550 143 G N -0.487 108.309 108.800 -0.007 0.000 2.570 143 G HA2 0.233 4.193 3.960 0.000 0.000 0.276 143 G HA3 0.233 4.193 3.960 0.000 0.000 0.276 143 G C 0.632 175.438 174.900 -0.157 0.000 1.346 143 G CA 0.100 45.167 45.100 -0.055 0.000 1.034 143 G HN 0.638 nan 8.290 nan 0.000 0.512 144 A N -0.538 122.186 122.820 -0.159 0.000 2.014 144 A HA 0.013 4.333 4.320 0.000 0.000 0.218 144 A C 1.780 179.161 177.584 -0.337 0.000 1.163 144 A CA 1.983 53.871 52.037 -0.248 0.000 0.652 144 A CB -0.264 18.657 19.000 -0.132 0.000 0.808 144 A HN 0.609 nan 8.150 nan 0.000 0.449 145 D N -2.962 117.334 120.400 -0.173 0.000 2.328 145 D HA 0.100 4.740 4.640 0.000 0.000 0.226 145 D C 0.228 176.581 176.300 0.088 0.000 1.066 145 D CA -0.291 53.681 54.000 -0.046 0.000 0.861 145 D CB -0.682 40.134 40.800 0.026 0.000 0.912 145 D HN 0.293 nan 8.370 nan 0.000 0.521 146 F N -0.678 119.295 119.950 0.038 0.000 2.794 146 F HA -0.280 4.247 4.527 0.001 0.000 0.335 146 F C 0.622 176.427 175.800 0.008 0.000 0.653 146 F CA 0.418 58.432 58.000 0.023 0.000 1.266 146 F CB -1.760 37.254 39.000 0.023 0.000 1.666 146 F HN 0.041 nan 8.300 nan 0.000 0.314 147 R N 0.552 121.129 120.500 0.128 0.000 2.549 147 R HA 0.642 4.983 4.340 0.000 0.000 0.267 147 R C 0.415 176.727 176.300 0.020 0.000 1.045 147 R CA -1.117 55.023 56.100 0.066 0.000 1.115 147 R CB 0.977 31.300 30.300 0.038 0.000 1.121 147 R HN 0.088 nan 8.270 nan 0.000 0.543 148 I N 1.766 122.314 120.570 -0.037 0.000 2.668 148 I HA -0.123 4.048 4.170 0.000 0.000 0.285 148 I C 0.518 176.567 176.117 -0.114 0.000 1.168 148 I CA 0.459 61.677 61.300 -0.137 0.000 1.424 148 I CB 0.152 37.949 38.000 -0.337 0.000 1.377 148 I HN 0.417 nan 8.210 nan 0.000 0.560 149 D N 8.167 128.516 120.400 -0.085 0.000 2.422 149 D HA 0.054 4.694 4.640 0.000 0.000 0.227 149 D C 0.962 177.214 176.300 -0.080 0.000 1.190 149 D CA -0.339 53.627 54.000 -0.057 0.000 0.905 149 D CB 0.909 41.699 40.800 -0.017 0.000 1.034 149 D HN 0.386 nan 8.370 nan 0.000 0.507 150 M N 2.328 121.875 119.600 -0.088 0.000 2.108 150 M HA -0.153 4.327 4.480 0.000 0.000 0.261 150 M C 1.159 177.429 176.300 -0.050 0.000 1.066 150 M CA 1.244 56.488 55.300 -0.094 0.000 1.107 150 M CB -0.606 31.948 32.600 -0.076 0.000 1.356 150 M HN 0.332 nan 8.290 nan 0.000 0.406 151 D N -0.009 120.374 120.400 -0.029 0.000 2.104 151 D HA -0.136 4.504 4.640 0.000 0.000 0.194 151 D C 2.154 178.456 176.300 0.003 0.000 0.994 151 D CA 1.116 55.110 54.000 -0.011 0.000 0.830 151 D CB -0.430 40.366 40.800 -0.007 0.000 0.959 151 D HN 0.189 nan 8.370 nan 0.000 0.452 152 V N 0.492 120.412 119.914 0.010 0.000 2.427 152 V HA -0.177 3.944 4.120 0.000 0.000 0.248 152 V C 2.094 178.230 176.094 0.069 0.000 1.051 152 V CA 2.062 64.384 62.300 0.036 0.000 1.048 152 V CB -0.478 31.373 31.823 0.046 0.000 0.666 152 V HN 0.195 nan 8.190 nan 0.000 0.456 153 A N -0.000 122.854 122.820 0.058 0.000 1.865 153 A HA -0.162 4.159 4.320 0.000 0.000 0.217 153 A C 2.145 179.801 177.584 0.120 0.000 1.191 153 A CA 2.277 54.394 52.037 0.133 0.000 0.623 153 A CB -0.633 18.287 19.000 -0.133 0.000 0.826 153 A HN 0.579 nan 8.150 nan 0.000 0.444 154 L N -1.121 120.126 121.223 0.041 0.000 2.072 154 L HA -0.150 4.191 4.340 0.000 0.000 0.205 154 L C 2.620 179.509 176.870 0.031 0.000 1.079 154 L CA 1.562 56.420 54.840 0.030 0.000 0.752 154 L CB -0.623 41.438 42.059 0.003 0.000 0.906 154 L HN 0.598 nan 8.230 nan 0.000 0.436 155 E N 0.666 120.883 120.200 0.028 0.000 2.065 155 E HA -0.314 4.036 4.350 0.000 0.000 0.201 155 E C 2.043 178.658 176.600 0.026 0.000 1.016 155 E CA 1.883 58.297 56.400 0.023 0.000 0.818 155 E CB 0.102 29.816 29.700 0.022 0.000 0.749 155 E HN 0.295 nan 8.360 nan 0.000 0.453 156 E N 0.154 120.380 120.200 0.043 0.000 2.152 156 E HA -0.083 4.267 4.350 0.000 0.000 0.192 156 E C 1.948 178.556 176.600 0.014 0.000 0.983 156 E CA 0.769 57.188 56.400 0.030 0.000 0.818 156 E CB -0.055 29.672 29.700 0.045 0.000 0.758 156 E HN 0.377 nan 8.360 nan 0.000 0.467 157 I N -0.007 120.583 120.570 0.034 0.000 2.202 157 I HA -0.281 3.889 4.170 0.000 0.000 0.242 157 I C 2.322 178.437 176.117 -0.003 0.000 1.091 157 I CA 1.060 62.366 61.300 0.010 0.000 1.368 157 I CB -0.175 37.847 38.000 0.037 0.000 1.058 157 I HN 0.023 nan 8.210 nan 0.000 0.410 158 R N 0.667 121.170 120.500 0.005 0.000 2.083 158 R HA -0.189 4.152 4.340 0.000 0.000 0.237 158 R C 2.432 178.729 176.300 -0.004 0.000 1.137 158 R CA 1.741 57.842 56.100 0.000 0.000 0.951 158 R CB -0.534 29.769 30.300 0.004 0.000 0.851 158 R HN 0.399 nan 8.270 nan 0.000 0.434 159 A N 0.905 123.724 122.820 -0.003 0.000 1.898 159 A HA -0.117 4.204 4.320 0.000 0.000 0.216 159 A C 1.731 179.307 177.584 -0.013 0.000 1.181 159 A CA 1.264 53.298 52.037 -0.006 0.000 0.620 159 A CB -0.033 18.966 19.000 -0.003 0.000 0.819 159 A HN 0.054 nan 8.150 nan 0.000 0.442 160 K N -0.941 119.446 120.400 -0.021 0.000 2.352 160 K HA 0.067 4.388 4.320 0.000 0.000 0.194 160 K C -0.191 176.388 176.600 -0.036 0.000 1.038 160 K CA 0.126 56.394 56.287 -0.033 0.000 1.023 160 K CB 0.203 32.672 32.500 -0.051 0.000 0.840 160 K HN 0.452 nan 8.250 nan 0.000 0.519 161 Q N 0.832 120.613 119.800 -0.032 0.000 2.443 161 Q HA -0.141 4.200 4.340 0.000 0.000 0.337 161 Q C -2.324 173.648 176.000 -0.047 0.000 1.401 161 Q CA 0.520 56.303 55.803 -0.033 0.000 0.943 161 Q CB -1.830 26.895 28.738 -0.023 0.000 1.177 161 Q HN 0.302 nan 8.270 nan 0.000 0.394 162 P HA 0.039 nan 4.420 nan 0.000 0.271 162 P C 0.574 177.822 177.300 -0.087 0.000 1.216 162 P CA -0.075 62.970 63.100 -0.093 0.000 0.776 162 P CB 0.705 32.319 31.700 -0.143 0.000 0.881 163 D N 1.524 121.879 120.400 -0.076 0.000 2.144 163 D HA -0.009 4.631 4.640 0.000 0.000 0.200 163 D C 0.731 176.969 176.300 -0.103 0.000 0.978 163 D CA 1.420 55.386 54.000 -0.056 0.000 0.833 163 D CB 0.334 41.123 40.800 -0.017 0.000 0.961 163 D HN 0.388 nan 8.370 nan 0.000 0.470 164 I N 0.958 121.423 120.570 -0.174 0.000 2.533 164 I HA 0.192 4.362 4.170 0.000 0.000 0.290 164 I C -0.795 175.088 176.117 -0.389 0.000 1.056 164 I CA -0.760 60.353 61.300 -0.312 0.000 1.057 164 I CB 3.069 40.819 38.000 -0.416 0.000 1.240 164 I HN -0.374 nan 8.210 nan 0.000 0.423 165 V N 6.069 125.751 119.914 -0.387 0.000 2.448 165 V HA 0.418 4.538 4.120 0.000 0.000 0.295 165 V C -0.527 175.363 176.094 -0.340 0.000 1.025 165 V CA -0.546 61.563 62.300 -0.318 0.000 0.859 165 V CB 1.551 33.297 31.823 -0.128 0.000 0.988 165 V HN 0.387 nan 8.190 nan 0.000 0.431 166 F N 3.628 123.526 119.950 -0.086 0.000 2.404 166 F HA 0.594 5.121 4.527 0.000 0.000 0.345 166 F C 0.158 176.057 175.800 0.164 0.000 1.110 166 F CA -0.624 57.367 58.000 -0.015 0.000 1.130 166 F CB 1.668 40.644 39.000 -0.040 0.000 1.129 166 F HN 0.179 nan 8.300 nan 0.000 0.500 167 V N 2.512 122.649 119.914 0.372 0.000 2.443 167 V HA 0.305 4.425 4.120 0.000 0.000 0.293 167 V C -0.408 175.867 176.094 0.303 0.000 1.021 167 V CA -0.797 61.717 62.300 0.357 0.000 0.848 167 V CB 1.616 33.569 31.823 0.216 0.000 0.998 167 V HN 0.744 nan 8.190 nan 0.000 0.424 168 T N 3.026 117.770 114.554 0.318 0.000 2.733 168 T HA 0.503 4.854 4.350 0.000 0.000 0.294 168 T C 0.044 174.858 174.700 0.190 0.000 0.956 168 T CA -0.197 62.058 62.100 0.259 0.000 0.987 168 T CB 1.024 70.042 68.868 0.249 0.000 0.920 168 T HN 0.729 nan 8.240 nan 0.000 0.470 169 T N 4.947 119.602 114.554 0.168 0.000 3.143 169 T HA 0.448 4.799 4.350 0.000 0.000 0.312 169 T C -2.879 171.913 174.700 0.154 0.000 0.986 169 T CA -1.780 60.402 62.100 0.137 0.000 1.024 169 T CB 0.879 69.805 68.868 0.096 0.000 1.030 169 T HN 0.135 nan 8.240 nan 0.000 0.448 170 P HA 0.138 nan 4.420 nan 0.000 0.266 170 P C -0.472 176.943 177.300 0.192 0.000 1.193 170 P CA -0.190 62.995 63.100 0.142 0.000 0.770 170 P CB 0.368 32.127 31.700 0.099 0.000 0.836 171 N N 2.439 121.211 118.700 0.120 0.000 2.514 171 N HA 0.071 4.812 4.740 0.000 0.000 0.277 171 N C -0.400 175.203 175.510 0.154 0.000 1.126 171 N CA -0.102 53.023 53.050 0.126 0.000 0.978 171 N CB -0.074 38.456 38.487 0.072 0.000 1.106 171 N HN 0.232 nan 8.380 nan 0.000 0.461 172 N N 3.617 122.381 118.700 0.107 0.000 2.425 172 N HA 0.379 5.119 4.740 0.000 0.000 0.268 172 N C -2.280 173.135 175.510 -0.158 0.000 0.991 172 N CA -2.092 50.905 53.050 -0.088 0.000 0.931 172 N CB 1.610 40.032 38.487 -0.108 0.000 1.130 172 N HN 0.412 nan 8.380 nan 0.000 0.493 173 P HA 0.126 nan 4.420 nan 0.000 0.267 173 P C 0.558 177.538 177.300 -0.534 0.000 1.289 173 P CA 0.324 63.107 63.100 -0.529 0.000 0.866 173 P CB 0.268 31.583 31.700 -0.642 0.000 1.309 174 T N -4.921 109.357 114.554 -0.461 0.000 3.035 174 T HA 0.283 4.633 4.350 0.000 0.000 0.259 174 T C 1.674 176.320 174.700 -0.091 0.000 1.078 174 T CA 1.071 62.893 62.100 -0.463 0.000 1.132 174 T CB -0.837 67.819 68.868 -0.353 0.000 0.900 174 T HN 0.169 nan 8.240 nan 0.000 0.480 175 G N 2.222 111.003 108.800 -0.032 0.000 2.176 175 G HA2 -0.198 3.762 3.960 0.000 0.000 0.232 175 G HA3 -0.198 3.762 3.960 0.000 0.000 0.232 175 G C -0.313 174.504 174.900 -0.138 0.000 0.986 175 G CA 0.019 44.980 45.100 -0.233 0.000 0.643 175 G HN 0.941 nan 8.290 nan 0.000 0.522 176 D N 0.056 120.432 120.400 -0.040 0.000 2.225 176 D HA 0.535 5.175 4.640 0.000 0.000 0.249 176 D C 0.265 176.574 176.300 0.015 0.000 1.052 176 D CA -0.844 53.153 54.000 -0.004 0.000 0.909 176 D CB 2.010 42.829 40.800 0.031 0.000 1.186 176 D HN 0.188 nan 8.370 nan 0.000 0.431 177 V N 2.016 121.939 119.914 0.016 0.000 2.498 177 V HA 0.231 4.351 4.120 0.000 0.000 0.279 177 V C 0.359 176.466 176.094 0.021 0.000 1.048 177 V CA -0.461 61.857 62.300 0.029 0.000 0.967 177 V CB 1.370 33.210 31.823 0.028 0.000 0.988 177 V HN 0.709 nan 8.190 nan 0.000 0.473 178 T N 4.461 119.029 114.554 0.022 0.000 2.729 178 T HA 0.220 4.570 4.350 0.000 0.000 0.296 178 T C 0.488 175.189 174.700 0.003 0.000 0.928 178 T CA -0.224 61.875 62.100 -0.002 0.000 1.045 178 T CB 0.597 69.455 68.868 -0.016 0.000 0.902 178 T HN 0.944 nan 8.240 nan 0.000 0.500 179 S N 4.068 119.766 115.700 -0.004 0.000 2.566 179 S HA 0.141 4.611 4.470 0.000 0.000 0.280 179 S C 1.569 176.170 174.600 0.001 0.000 1.343 179 S CA -0.730 57.471 58.200 0.002 0.000 1.036 179 S CB 0.274 63.474 63.200 -0.001 0.000 0.866 179 S HN 0.628 nan 8.310 nan 0.000 0.526 180 L N 0.691 121.921 121.223 0.010 0.000 2.131 180 L HA -0.115 4.226 4.340 0.000 0.000 0.210 180 L C 2.072 178.947 176.870 0.008 0.000 1.092 180 L CA 1.448 56.296 54.840 0.013 0.000 0.759 180 L CB -0.768 41.307 42.059 0.027 0.000 0.903 180 L HN 0.675 nan 8.230 nan 0.000 0.435 181 D N 0.064 120.469 120.400 0.008 0.000 2.117 181 D HA -0.185 4.455 4.640 0.000 0.000 0.197 181 D C 1.808 178.100 176.300 -0.013 0.000 0.987 181 D CA 1.153 55.157 54.000 0.006 0.000 0.829 181 D CB -0.187 40.617 40.800 0.007 0.000 0.961 181 D HN 0.260 nan 8.370 nan 0.000 0.460 182 D N -0.116 120.269 120.400 -0.025 0.000 2.144 182 D HA -0.084 4.557 4.640 0.000 0.000 0.200 182 D C 2.250 178.513 176.300 -0.063 0.000 0.978 182 D CA 0.356 54.327 54.000 -0.048 0.000 0.833 182 D CB -0.095 40.669 40.800 -0.061 0.000 0.961 182 D HN 0.080 nan 8.370 nan 0.000 0.470 183 V N 1.503 121.385 119.914 -0.052 0.000 2.343 183 V HA -0.207 3.913 4.120 0.000 0.000 0.247 183 V C 2.336 178.363 176.094 -0.113 0.000 1.051 183 V CA 1.504 63.765 62.300 -0.065 0.000 1.036 183 V CB -0.407 31.392 31.823 -0.039 0.000 0.654 183 V HN 0.200 nan 8.190 nan 0.000 0.451 184 E N 0.041 120.185 120.200 -0.093 0.000 2.085 184 E HA -0.254 4.096 4.350 0.000 0.000 0.194 184 E C 2.466 178.986 176.600 -0.134 0.000 0.994 184 E CA 1.343 57.659 56.400 -0.140 0.000 0.801 184 E CB -0.217 29.494 29.700 0.017 0.000 0.743 184 E HN 0.550 nan 8.360 nan 0.000 0.453 185 R N 0.455 120.913 120.500 -0.070 0.000 2.083 185 R HA -0.136 4.204 4.340 0.000 0.000 0.237 185 R C 2.472 178.731 176.300 -0.069 0.000 1.137 185 R CA 1.262 57.331 56.100 -0.053 0.000 0.951 185 R CB -0.357 29.920 30.300 -0.039 0.000 0.851 185 R HN 0.184 nan 8.270 nan 0.000 0.434 186 I N 0.581 121.103 120.570 -0.080 0.000 2.127 186 I HA -0.313 3.858 4.170 0.000 0.000 0.241 186 I C 2.250 178.309 176.117 -0.096 0.000 1.075 186 I CA 1.464 62.729 61.300 -0.059 0.000 1.334 186 I CB -0.269 37.712 38.000 -0.033 0.000 1.040 186 I HN 0.145 nan 8.210 nan 0.000 0.405 187 I N 0.722 121.177 120.570 -0.191 0.000 2.264 187 I HA -0.333 3.837 4.170 0.000 0.000 0.248 187 I C 1.943 177.918 176.117 -0.237 0.000 1.111 187 I CA 1.819 62.941 61.300 -0.298 0.000 1.382 187 I CB -0.576 37.041 38.000 -0.638 0.000 1.060 187 I HN 0.317 nan 8.210 nan 0.000 0.418 188 N N -0.069 118.524 118.700 -0.180 0.000 2.270 188 N HA -0.130 4.610 4.740 0.000 0.000 0.181 188 N C 1.775 177.271 175.510 -0.023 0.000 1.016 188 N CA 1.341 54.359 53.050 -0.053 0.000 0.870 188 N CB 0.090 38.582 38.487 0.009 0.000 0.979 188 N HN 0.317 nan 8.380 nan 0.000 0.431 189 V N -1.960 117.935 119.914 -0.032 0.000 2.788 189 V HA 0.297 4.418 4.120 0.000 0.000 0.251 189 V C 0.921 177.001 176.094 -0.023 0.000 1.068 189 V CA 0.060 62.350 62.300 -0.016 0.000 1.090 189 V CB -0.990 30.829 31.823 -0.007 0.000 0.710 189 V HN 0.118 nan 8.190 nan 0.000 0.467 190 A N 2.986 125.782 122.820 -0.041 0.000 2.545 190 A HA 0.363 4.683 4.320 0.000 0.000 0.253 190 A C -0.512 177.048 177.584 -0.041 0.000 1.074 190 A CA -0.144 51.863 52.037 -0.050 0.000 0.760 190 A CB -0.207 18.747 19.000 -0.077 0.000 1.005 190 A HN 0.501 nan 8.150 nan 0.000 0.506 191 P HA 0.038 nan 4.420 nan 0.000 0.226 191 P C 1.147 178.431 177.300 -0.027 0.000 1.161 191 P CA 1.513 64.598 63.100 -0.025 0.000 0.804 191 P CB 0.373 32.060 31.700 -0.022 0.000 0.829 192 G N 0.883 109.656 108.800 -0.045 0.000 3.223 192 G HA2 0.489 4.450 3.960 0.000 0.000 0.198 192 G HA3 0.489 4.450 3.960 0.000 0.000 0.198 192 G C 0.208 175.062 174.900 -0.078 0.000 1.980 192 G CA -0.195 44.878 45.100 -0.045 0.000 0.828 192 G HN 0.276 nan 8.290 nan 0.000 0.680 193 I N -1.777 118.712 120.570 -0.135 0.000 2.797 193 I HA 0.787 4.957 4.170 0.000 0.000 0.307 193 I C -1.286 174.694 176.117 -0.230 0.000 1.033 193 I CA -1.180 60.004 61.300 -0.193 0.000 1.071 193 I CB 2.561 40.373 38.000 -0.314 0.000 1.255 193 I HN 0.113 nan 8.210 nan 0.000 0.445 194 V N 5.205 124.977 119.914 -0.236 0.000 2.407 194 V HA 0.437 4.558 4.120 0.000 0.000 0.291 194 V C -0.080 175.867 176.094 -0.246 0.000 1.018 194 V CA -0.344 61.824 62.300 -0.221 0.000 0.842 194 V CB 1.474 33.203 31.823 -0.158 0.000 0.996 194 V HN 0.523 nan 8.190 nan 0.000 0.426 195 I N 5.292 125.711 120.570 -0.251 0.000 2.297 195 I HA 0.324 4.494 4.170 0.000 0.000 0.291 195 I C -0.240 175.879 176.117 0.003 0.000 1.033 195 I CA -0.576 60.627 61.300 -0.162 0.000 1.253 195 I CB 1.584 39.498 38.000 -0.144 0.000 1.396 195 I HN 0.282 nan 8.210 nan 0.000 0.476 196 V N 5.391 125.304 119.914 -0.001 0.000 2.368 196 V HA 0.104 4.224 4.120 0.000 0.000 0.266 196 V C 0.160 176.309 176.094 0.091 0.000 1.045 196 V CA -0.413 61.925 62.300 0.063 0.000 0.899 196 V CB 1.093 32.934 31.823 0.030 0.000 1.006 196 V HN 0.611 nan 8.190 nan 0.000 0.470 197 D N 4.618 125.116 120.400 0.163 0.000 2.393 197 D HA 0.116 4.757 4.640 0.000 0.000 0.232 197 D C 0.521 176.879 176.300 0.097 0.000 1.192 197 D CA -0.073 54.017 54.000 0.151 0.000 0.882 197 D CB 0.764 41.729 40.800 0.274 0.000 1.038 197 D HN 0.620 nan 8.370 nan 0.000 0.499 198 E N 2.636 122.861 120.200 0.041 0.000 2.434 198 E HA 0.179 4.529 4.350 0.000 0.000 0.243 198 E C 1.097 177.678 176.600 -0.033 0.000 1.250 198 E CA -0.402 56.020 56.400 0.036 0.000 1.568 198 E CB 0.662 30.385 29.700 0.038 0.000 1.435 198 E HN 0.517 nan 8.360 nan 0.000 0.432 199 A N 0.138 122.877 122.820 -0.135 0.000 1.978 199 A HA -0.192 4.128 4.320 0.000 0.000 0.220 199 A C 1.123 178.442 177.584 -0.443 0.000 1.170 199 A CA 1.337 53.138 52.037 -0.392 0.000 0.636 199 A CB -0.294 18.279 19.000 -0.711 0.000 0.810 199 A HN 0.379 nan 8.150 nan 0.000 0.448 200 Y N -1.339 119.060 120.300 0.166 0.000 2.555 200 Y HA 0.486 5.036 4.550 0.001 0.000 0.259 200 Y C 2.173 178.219 175.900 0.243 0.000 1.179 200 Y CA -0.429 57.863 58.100 0.320 0.000 1.230 200 Y CB -0.472 38.172 38.460 0.307 0.000 1.146 200 Y HN 0.278 nan 8.280 nan 0.000 0.526 201 A N 0.422 123.358 122.820 0.194 0.000 1.958 201 A HA -0.274 4.046 4.320 0.000 0.000 0.221 201 A C 1.914 179.540 177.584 0.069 0.000 1.178 201 A CA 2.154 54.267 52.037 0.126 0.000 0.642 201 A CB -0.330 18.721 19.000 0.085 0.000 0.816 201 A HN 0.417 nan 8.150 nan 0.000 0.453 202 E N -1.115 119.064 120.200 -0.034 0.000 2.333 202 E HA -0.097 4.254 4.350 0.000 0.000 0.198 202 E C 1.053 177.501 176.600 -0.254 0.000 1.007 202 E CA 0.924 57.207 56.400 -0.195 0.000 0.845 202 E CB -0.295 29.187 29.700 -0.364 0.000 0.766 202 E HN 0.746 nan 8.360 nan 0.000 0.507 203 F N -0.520 119.473 119.950 0.071 0.000 2.789 203 F HA 0.194 4.722 4.527 0.000 0.000 0.300 203 F C 0.943 176.750 175.800 0.011 0.000 1.132 203 F CA 0.071 58.093 58.000 0.038 0.000 1.404 203 F CB 0.414 39.438 39.000 0.041 0.000 1.114 203 F HN -0.251 nan 8.300 nan 0.000 0.584 204 S N 0.298 116.092 115.700 0.157 0.000 2.451 204 S HA 0.334 4.804 4.470 0.000 0.000 0.301 204 S C -1.604 173.026 174.600 0.050 0.000 1.116 204 S CA -1.535 56.720 58.200 0.091 0.000 1.093 204 S CB 1.171 64.422 63.200 0.085 0.000 1.017 204 S HN -0.168 nan 8.310 nan 0.000 0.482 205 P HA 0.034 nan 4.420 nan 0.000 0.222 205 P C 0.048 177.358 177.300 0.017 0.000 1.147 205 P CA 0.478 63.589 63.100 0.019 0.000 0.790 205 P CB 0.040 31.750 31.700 0.016 0.000 0.780 206 S N 1.319 117.034 115.700 0.024 0.000 2.579 206 S HA 0.205 4.675 4.470 0.000 0.000 0.275 206 S C -1.987 172.627 174.600 0.022 0.000 1.345 206 S CA -0.794 57.419 58.200 0.022 0.000 1.031 206 S CB -0.521 62.694 63.200 0.026 0.000 0.892 206 S HN 0.123 nan 8.310 nan 0.000 0.529 207 P HA 0.137 nan 4.420 nan 0.000 0.272 207 P C -0.437 176.879 177.300 0.027 0.000 1.223 207 P CA -0.350 62.761 63.100 0.018 0.000 0.784 207 P CB 0.502 32.212 31.700 0.017 0.000 0.923 208 S N 0.792 116.507 115.700 0.025 0.000 2.580 208 S HA 0.329 4.800 4.470 0.000 0.000 0.274 208 S C 1.581 176.204 174.600 0.039 0.000 1.329 208 S CA -0.037 58.184 58.200 0.036 0.000 1.036 208 S CB 0.134 63.356 63.200 0.035 0.000 0.919 208 S HN 0.485 nan 8.310 nan 0.000 0.515 209 A N 3.376 126.222 122.820 0.043 0.000 2.186 209 A HA -0.067 4.253 4.320 0.000 0.000 0.219 209 A C 2.221 179.837 177.584 0.053 0.000 1.159 209 A CA 2.082 54.145 52.037 0.044 0.000 0.680 209 A CB -1.616 17.404 19.000 0.033 0.000 0.787 209 A HN 1.148 nan 8.150 nan 0.000 0.467 210 T N -1.770 112.816 114.554 0.055 0.000 2.822 210 T HA -0.233 4.117 4.350 0.000 0.000 0.270 210 T C 1.785 176.520 174.700 0.058 0.000 1.064 210 T CA 2.209 64.347 62.100 0.063 0.000 1.131 210 T CB -1.490 67.417 68.868 0.065 0.000 0.858 210 T HN 0.721 nan 8.240 nan 0.000 0.483 211 T N 0.469 115.053 114.554 0.049 0.000 2.929 211 T HA 0.119 4.470 4.350 0.000 0.000 0.271 211 T C 1.777 176.515 174.700 0.063 0.000 1.085 211 T CA 0.662 62.789 62.100 0.046 0.000 1.125 211 T CB -0.650 68.240 68.868 0.037 0.000 0.874 211 T HN 0.471 nan 8.240 nan 0.000 0.494 212 L N -0.239 121.038 121.223 0.090 0.000 2.567 212 L HA 0.341 4.682 4.340 0.000 0.000 0.225 212 L C 2.267 179.239 176.870 0.170 0.000 1.119 212 L CA 0.025 54.958 54.840 0.154 0.000 0.871 212 L CB -0.355 41.819 42.059 0.191 0.000 1.036 212 L HN 0.242 nan 8.230 nan 0.000 0.459 213 L N 0.004 121.294 121.223 0.111 0.000 2.093 213 L HA -0.208 4.132 4.340 0.000 0.000 0.208 213 L C 2.533 179.452 176.870 0.081 0.000 1.085 213 L CA 1.285 56.190 54.840 0.107 0.000 0.755 213 L CB -0.298 41.816 42.059 0.092 0.000 0.904 213 L HN 0.333 nan 8.230 nan 0.000 0.435 214 E N 0.544 120.772 120.200 0.046 0.000 2.085 214 E HA -0.307 4.043 4.350 0.000 0.000 0.194 214 E C 2.201 178.768 176.600 -0.054 0.000 0.994 214 E CA 1.544 57.948 56.400 0.006 0.000 0.801 214 E CB 0.098 29.796 29.700 -0.003 0.000 0.743 214 E HN 0.277 nan 8.360 nan 0.000 0.453 215 K N -0.887 119.444 120.400 -0.116 0.000 2.155 215 K HA -0.102 4.218 4.320 0.000 0.000 0.203 215 K C -0.029 176.218 176.600 -0.588 0.000 1.052 215 K CA 0.914 56.967 56.287 -0.391 0.000 0.948 215 K CB 0.204 32.383 32.500 -0.535 0.000 0.728 215 K HN 0.138 nan 8.250 nan 0.000 0.448 216 Y N 0.085 120.397 120.300 0.021 0.000 2.495 216 Y HA 0.249 4.799 4.550 0.000 0.000 0.362 216 Y C -2.029 173.900 175.900 0.047 0.000 0.956 216 Y CA -2.191 55.922 58.100 0.023 0.000 1.127 216 Y CB 1.138 39.602 38.460 0.008 0.000 1.173 216 Y HN 0.103 nan 8.280 nan 0.000 0.639 217 P HA -0.172 nan 4.420 nan 0.000 0.218 217 P C 1.365 178.801 177.300 0.227 0.000 1.148 217 P CA 1.838 65.034 63.100 0.160 0.000 0.822 217 P CB 0.139 31.892 31.700 0.089 0.000 0.784 218 T N -4.590 110.059 114.554 0.160 0.000 3.081 218 T HA 0.206 4.557 4.350 0.000 0.000 0.250 218 T C 1.578 176.377 174.700 0.164 0.000 1.100 218 T CA 0.364 62.526 62.100 0.103 0.000 1.038 218 T CB -0.116 68.771 68.868 0.032 0.000 0.962 218 T HN 0.135 nan 8.240 nan 0.000 0.516 219 K N -0.661 119.853 120.400 0.191 0.000 2.462 219 K HA 0.370 4.690 4.320 0.000 0.000 0.201 219 K C -0.325 176.250 176.600 -0.042 0.000 1.268 219 K CA -0.340 55.994 56.287 0.078 0.000 0.933 219 K CB 0.527 33.051 32.500 0.040 0.000 1.162 219 K HN 0.174 nan 8.250 nan 0.000 0.527 220 L N 2.045 123.244 121.223 -0.041 0.000 2.275 220 L HA 0.345 4.685 4.340 0.000 0.000 0.288 220 L C -1.084 175.542 176.870 -0.406 0.000 1.046 220 L CA -0.497 54.242 54.840 -0.168 0.000 0.805 220 L CB 1.537 43.581 42.059 -0.025 0.000 1.193 220 L HN -0.261 nan 8.230 nan 0.000 0.426 221 V N 5.813 125.432 119.914 -0.492 0.000 2.540 221 V HA 0.472 4.593 4.120 0.000 0.000 0.302 221 V C -0.514 175.443 176.094 -0.228 0.000 1.035 221 V CA -0.776 61.205 62.300 -0.533 0.000 0.873 221 V CB 2.015 33.308 31.823 -0.884 0.000 0.992 221 V HN 0.463 nan 8.190 nan 0.000 0.428 222 V N 3.634 123.506 119.914 -0.070 0.000 2.333 222 V HA 0.380 4.501 4.120 0.000 0.000 0.274 222 V C 0.431 176.563 176.094 0.062 0.000 1.028 222 V CA -0.127 62.181 62.300 0.013 0.000 0.851 222 V CB 1.506 33.359 31.823 0.050 0.000 1.000 222 V HN 0.867 nan 8.190 nan 0.000 0.456 223 S N 6.246 121.964 115.700 0.030 0.000 2.525 223 S HA 0.693 5.163 4.470 0.000 0.000 0.278 223 S C -0.261 174.275 174.600 -0.106 0.000 1.234 223 S CA -0.689 57.525 58.200 0.023 0.000 1.058 223 S CB 0.343 63.582 63.200 0.066 0.000 0.983 223 S HN 0.707 nan 8.310 nan 0.000 0.495 224 R N 1.531 121.840 120.500 -0.318 0.000 2.817 224 R HA 0.635 4.976 4.340 0.000 0.000 0.268 224 R C -0.866 175.134 176.300 -0.500 0.000 1.027 224 R CA -0.790 55.010 56.100 -0.500 0.000 0.928 224 R CB 1.306 31.054 30.300 -0.920 0.000 1.228 224 R HN 0.633 nan 8.270 nan 0.000 0.469 225 T N -0.476 113.922 114.554 -0.261 0.000 2.868 225 T HA 0.409 4.759 4.350 0.000 0.000 0.306 225 T C 0.045 174.818 174.700 0.122 0.000 1.224 225 T CA -0.527 61.545 62.100 -0.046 0.000 1.012 225 T CB 1.385 70.221 68.868 -0.053 0.000 1.221 225 T HN 0.502 nan 8.240 nan 0.000 0.499 226 M N 1.741 121.424 119.600 0.139 0.000 2.428 226 M HA 0.238 4.719 4.480 0.000 0.000 0.239 226 M C 0.799 177.230 176.300 0.219 0.000 1.121 226 M CA -0.151 55.234 55.300 0.142 0.000 1.019 226 M CB 0.301 32.865 32.600 -0.060 0.000 1.485 226 M HN 0.378 nan 8.290 nan 0.000 0.484 230 F N 1.701 121.660 119.950 0.016 0.000 2.811 230 F HA 0.260 4.787 4.527 0.001 0.000 0.301 230 F C 0.955 176.810 175.800 0.092 0.000 1.151 230 F CA 1.099 59.097 58.000 -0.004 0.000 1.412 230 F CB 0.241 39.204 39.000 -0.061 0.000 1.113 230 F HN 0.396 nan 8.300 nan 0.000 0.579 231 D N -1.478 119.122 120.400 0.333 0.000 2.907 231 D HA -0.302 4.339 4.640 0.000 0.000 0.226 231 D C 0.055 176.579 176.300 0.373 0.000 1.141 231 D CA 0.602 54.782 54.000 0.300 0.000 0.779 231 D CB -1.732 39.221 40.800 0.255 0.000 1.095 231 D HN 0.236 nan 8.370 nan 0.000 0.430 232 F N -1.016 119.002 119.950 0.114 0.000 2.739 232 F HA 0.642 5.169 4.527 0.000 0.000 0.366 232 F C 1.527 177.349 175.800 0.036 0.000 1.279 232 F CA 0.247 58.280 58.000 0.055 0.000 1.151 232 F CB -0.192 38.816 39.000 0.013 0.000 1.132 232 F HN 0.071 nan 8.300 nan 0.000 0.511 233 A N 0.169 123.024 122.820 0.058 0.000 1.948 233 A HA -0.105 4.216 4.320 0.000 0.000 0.220 233 A C 2.440 179.968 177.584 -0.093 0.000 1.177 233 A CA 2.039 54.081 52.037 0.009 0.000 0.636 233 A CB -1.192 17.832 19.000 0.040 0.000 0.815 233 A HN 0.508 nan 8.150 nan 0.000 0.449 234 G N -1.182 107.503 108.800 -0.193 0.000 2.559 234 G HA2 0.164 4.125 3.960 0.000 0.000 0.216 234 G HA3 0.164 4.125 3.960 0.000 0.000 0.216 234 G C 1.191 175.882 174.900 -0.348 0.000 1.126 234 G CA 0.999 45.956 45.100 -0.237 0.000 0.778 234 G HN 0.718 nan 8.290 nan 0.000 0.543 235 G N -0.081 108.384 108.800 -0.558 0.000 2.880 235 G HA2 0.123 4.084 3.960 0.000 0.000 0.209 235 G HA3 0.123 4.084 3.960 0.000 0.000 0.209 235 G C 0.686 175.517 174.900 -0.115 0.000 1.157 235 G CA -0.537 44.291 45.100 -0.453 0.000 0.779 235 G HN 0.219 nan 8.290 nan 0.000 0.539 236 R N -0.613 119.841 120.500 -0.077 0.000 2.837 236 R HA -0.137 4.204 4.340 0.000 0.000 0.264 236 R C -0.974 175.337 176.300 0.018 0.000 0.906 236 R CA 0.325 56.417 56.100 -0.013 0.000 0.711 236 R CB -1.959 28.328 30.300 -0.021 0.000 1.701 236 R HN 0.304 nan 8.270 nan 0.000 0.514 237 L N 1.053 122.310 121.223 0.056 0.000 2.504 237 L HA 0.602 4.942 4.340 0.000 0.000 0.265 237 L C 0.189 177.117 176.870 0.098 0.000 0.975 237 L CA 0.083 54.956 54.840 0.055 0.000 0.864 237 L CB 1.834 43.925 42.059 0.053 0.000 1.212 237 L HN 0.549 nan 8.230 nan 0.000 0.416 238 G N 3.553 112.416 108.800 0.105 0.000 2.511 238 G HA2 0.711 4.671 3.960 0.000 0.000 0.318 238 G HA3 0.711 4.671 3.960 0.000 0.000 0.318 238 G C -1.784 173.246 174.900 0.216 0.000 1.210 238 G CA -0.386 44.793 45.100 0.132 0.000 0.969 238 G HN 0.599 nan 8.290 nan 0.000 0.484 239 Y N -1.241 119.091 120.300 0.054 0.000 2.656 239 Y HA 0.767 5.317 4.550 0.001 0.000 0.334 239 Y C -1.354 174.654 175.900 0.179 0.000 1.179 239 Y CA -2.490 55.633 58.100 0.038 0.000 1.050 239 Y CB 1.199 39.628 38.460 -0.052 0.000 1.308 239 Y HN 0.808 nan 8.280 nan 0.000 0.456 240 F N -0.244 119.867 119.950 0.268 0.000 2.611 240 F HA 0.927 5.454 4.527 0.001 0.000 0.324 240 F C -1.877 174.073 175.800 0.250 0.000 1.061 240 F CA -1.856 56.236 58.000 0.153 0.000 0.954 240 F CB 1.574 40.638 39.000 0.106 0.000 1.301 240 F HN 0.379 nan 8.300 nan 0.000 0.482 241 V N 2.004 122.201 119.914 0.472 0.000 2.487 241 V HA 0.940 5.060 4.120 0.000 0.000 0.298 241 V C -0.168 176.141 176.094 0.358 0.000 1.028 241 V CA -0.085 62.427 62.300 0.353 0.000 0.860 241 V CB 0.385 32.357 31.823 0.249 0.000 0.991 241 V HN 1.354 nan 8.190 nan 0.000 0.427 242 A N 3.690 126.724 122.820 0.356 0.000 2.493 242 A HA 0.582 4.902 4.320 0.000 0.000 0.300 242 A C -0.687 177.071 177.584 0.290 0.000 1.152 242 A CA -0.731 51.456 52.037 0.251 0.000 0.643 242 A CB 1.092 20.168 19.000 0.127 0.000 1.316 242 A HN 0.654 nan 8.150 nan 0.000 0.469 243 N N 0.154 119.053 118.700 0.331 0.000 2.454 243 N HA 0.112 4.852 4.740 0.000 0.000 0.254 243 N C -1.710 173.987 175.510 0.311 0.000 1.228 243 N CA -0.894 52.333 53.050 0.295 0.000 0.900 243 N CB 1.087 39.744 38.487 0.283 0.000 1.089 243 N HN 0.147 nan 8.380 nan 0.000 0.449 244 P HA -0.139 nan 4.420 nan 0.000 0.218 244 P C 0.784 178.168 177.300 0.140 0.000 1.146 244 P CA 1.371 64.569 63.100 0.164 0.000 0.813 244 P CB 0.065 31.825 31.700 0.101 0.000 0.778 245 A N -1.432 121.441 122.820 0.089 0.000 1.940 245 A HA -0.215 4.106 4.320 0.000 0.000 0.219 245 A C 1.911 179.491 177.584 -0.007 0.000 1.176 245 A CA 1.524 53.552 52.037 -0.015 0.000 0.631 245 A CB -1.790 17.135 19.000 -0.125 0.000 0.814 245 A HN 0.114 nan 8.150 nan 0.000 0.446 246 F N -0.619 119.406 119.950 0.125 0.000 2.234 246 F HA -0.098 4.429 4.527 0.000 0.000 0.299 246 F C 1.960 177.883 175.800 0.205 0.000 1.087 246 F CA 1.066 59.172 58.000 0.177 0.000 1.340 246 F CB -0.319 38.753 39.000 0.120 0.000 1.031 246 F HN 0.118 nan 8.300 nan 0.000 0.500 247 I N 0.029 120.803 120.570 0.340 0.000 2.252 247 I HA -0.246 3.924 4.170 0.000 0.000 0.245 247 I C 1.971 178.022 176.117 -0.111 0.000 1.102 247 I CA 1.280 62.622 61.300 0.070 0.000 1.385 247 I CB -0.834 37.218 38.000 0.086 0.000 1.064 247 I HN 0.012 nan 8.210 nan 0.000 0.414 248 D N 0.793 121.176 120.400 -0.028 0.000 2.123 248 D HA -0.177 4.463 4.640 0.000 0.000 0.196 248 D C 2.321 178.560 176.300 -0.103 0.000 0.992 248 D CA 1.640 55.596 54.000 -0.073 0.000 0.833 248 D CB -0.402 40.373 40.800 -0.042 0.000 0.954 248 D HN 0.344 nan 8.370 nan 0.000 0.455 249 A N 0.956 123.745 122.820 -0.050 0.000 1.873 249 A HA -0.188 4.132 4.320 0.000 0.000 0.218 249 A C 2.495 179.990 177.584 -0.147 0.000 1.193 249 A CA 2.661 54.650 52.037 -0.080 0.000 0.629 249 A CB -0.988 18.062 19.000 0.084 0.000 0.826 249 A HN 0.249 nan 8.150 nan 0.000 0.447 250 V N -3.275 116.556 119.914 -0.139 0.000 2.970 250 V HA -0.097 4.024 4.120 0.000 0.000 0.260 250 V C 2.178 178.047 176.094 -0.374 0.000 1.100 250 V CA 1.847 64.004 62.300 -0.237 0.000 1.122 250 V CB -0.905 30.765 31.823 -0.256 0.000 0.721 250 V HN 0.479 nan 8.190 nan 0.000 0.483 251 M N -0.047 119.297 119.600 -0.427 0.000 2.374 251 M HA 0.047 4.527 4.480 0.000 0.000 0.264 251 M C 1.925 178.115 176.300 -0.184 0.000 1.067 251 M CA 1.590 56.689 55.300 -0.335 0.000 1.103 251 M CB -0.277 32.156 32.600 -0.278 0.000 1.402 251 M HN 0.367 nan 8.290 nan 0.000 0.444 252 L N -0.692 120.430 121.223 -0.168 0.000 2.313 252 L HA -0.070 4.271 4.340 0.000 0.000 0.214 252 L C 2.062 178.867 176.870 -0.109 0.000 1.119 252 L CA 0.502 55.266 54.840 -0.126 0.000 0.809 252 L CB -0.425 41.554 42.059 -0.134 0.000 0.933 252 L HN 0.292 nan 8.230 nan 0.000 0.449 253 V N -2.771 117.074 119.914 -0.115 0.000 3.612 253 V HA 0.157 4.278 4.120 0.000 0.000 0.268 253 V C 1.037 177.104 176.094 -0.045 0.000 1.365 253 V CA -0.535 61.720 62.300 -0.075 0.000 1.044 253 V CB -0.200 31.577 31.823 -0.077 0.000 0.820 253 V HN 0.372 nan 8.190 nan 0.000 0.444 254 R N 1.583 122.044 120.500 -0.066 0.000 2.594 254 R HA 0.486 4.826 4.340 0.000 0.000 0.272 254 R C -0.305 175.980 176.300 -0.025 0.000 1.074 254 R CA -0.381 55.688 56.100 -0.051 0.000 1.105 254 R CB -0.203 30.052 30.300 -0.075 0.000 1.008 254 R HN 0.380 nan 8.270 nan 0.000 0.472 255 L N 3.831 125.065 121.223 0.018 0.000 2.410 255 L HA 0.293 4.633 4.340 0.000 0.000 0.273 255 L C -1.678 175.250 176.870 0.097 0.000 1.152 255 L CA -2.035 52.851 54.840 0.076 0.000 0.855 255 L CB 0.602 42.741 42.059 0.134 0.000 1.129 255 L HN 0.590 nan 8.230 nan 0.000 0.463 256 P HA -0.056 nan 4.420 nan 0.000 0.268 256 P C -0.784 176.586 177.300 0.117 0.000 1.205 256 P CA 0.084 63.151 63.100 -0.055 0.000 0.771 256 P CB 0.238 31.864 31.700 -0.123 0.000 0.858 257 Y N -0.529 119.896 120.300 0.209 0.000 3.589 257 Y HA -0.259 4.291 4.550 0.001 0.000 0.218 257 Y C 1.909 177.931 175.900 0.203 0.000 1.234 257 Y CA 1.061 59.286 58.100 0.208 0.000 1.576 257 Y CB -3.175 35.429 38.460 0.240 0.000 1.487 257 Y HN 0.604 nan 8.280 nan 0.000 0.616 258 H N -1.192 117.971 119.070 0.154 0.000 2.521 258 H HA 0.167 4.723 4.556 0.000 0.000 0.286 258 H C 0.415 175.790 175.328 0.079 0.000 1.034 258 H CA 0.843 56.964 56.048 0.123 0.000 1.278 258 H CB 0.252 30.085 29.762 0.119 0.000 1.386 258 H HN 0.373 nan 8.280 nan 0.000 0.567 259 L N 2.952 123.892 121.223 -0.472 0.000 2.319 259 L HA 0.242 4.582 4.340 0.000 0.000 0.281 259 L C 0.141 176.933 176.870 -0.130 0.000 1.005 259 L CA -0.629 53.969 54.840 -0.403 0.000 0.828 259 L CB 1.596 43.283 42.059 -0.620 0.000 1.227 259 L HN 0.363 nan 8.230 nan 0.000 0.415 260 S N 2.882 118.538 115.700 -0.073 0.000 2.608 260 S HA 0.441 4.911 4.470 0.000 0.000 0.261 260 S C 1.393 175.976 174.600 -0.029 0.000 1.314 260 S CA 0.054 58.240 58.200 -0.024 0.000 0.992 260 S CB 0.982 64.167 63.200 -0.026 0.000 0.935 260 S HN 0.738 nan 8.310 nan 0.000 0.564 261 A N 0.910 123.720 122.820 -0.017 0.000 1.902 261 A HA 0.053 4.373 4.320 0.000 0.000 0.217 261 A C 2.215 179.787 177.584 -0.021 0.000 1.181 261 A CA 1.337 53.364 52.037 -0.016 0.000 0.623 261 A CB -1.078 17.912 19.000 -0.017 0.000 0.818 261 A HN 0.821 nan 8.150 nan 0.000 0.443 262 L N -0.552 120.659 121.223 -0.020 0.000 2.109 262 L HA -0.120 4.220 4.340 0.000 0.000 0.207 262 L C 2.818 179.689 176.870 0.001 0.000 1.086 262 L CA 1.285 56.119 54.840 -0.010 0.000 0.760 262 L CB -0.519 41.532 42.059 -0.013 0.000 0.910 262 L HN 0.316 nan 8.230 nan 0.000 0.437 263 S N -0.349 115.343 115.700 -0.014 0.000 2.356 263 S HA -0.231 4.240 4.470 0.000 0.000 0.223 263 S C 1.945 176.532 174.600 -0.021 0.000 1.032 263 S CA 1.299 59.494 58.200 -0.009 0.000 1.005 263 S CB -0.245 62.928 63.200 -0.045 0.000 0.867 263 S HN 0.447 nan 8.310 nan 0.000 0.449 264 Q N 0.741 120.508 119.800 -0.055 0.000 2.050 264 Q HA -0.066 4.274 4.340 0.000 0.000 0.202 264 Q C 2.544 178.508 176.000 -0.061 0.000 0.980 264 Q CA 1.468 57.225 55.803 -0.077 0.000 0.840 264 Q CB -0.375 28.316 28.738 -0.077 0.000 0.898 264 Q HN 0.604 nan 8.270 nan 0.000 0.424 265 A N 1.003 123.803 122.820 -0.034 0.000 1.898 265 A HA -0.061 4.259 4.320 0.000 0.000 0.216 265 A C 2.294 179.867 177.584 -0.018 0.000 1.181 265 A CA 1.450 53.471 52.037 -0.026 0.000 0.620 265 A CB -0.721 18.272 19.000 -0.012 0.000 0.819 265 A HN 0.389 nan 8.150 nan 0.000 0.442 266 A N -0.005 122.833 122.820 0.030 0.000 1.902 266 A HA 0.151 4.471 4.320 0.000 0.000 0.217 266 A C 2.508 180.067 177.584 -0.042 0.000 1.181 266 A CA 2.120 54.222 52.037 0.108 0.000 0.623 266 A CB -1.033 18.138 19.000 0.285 0.000 0.818 266 A HN 1.034 nan 8.150 nan 0.000 0.443 267 A N -0.153 122.631 122.820 -0.059 0.000 1.902 267 A HA -0.086 4.234 4.320 0.000 0.000 0.217 267 A C 2.116 179.507 177.584 -0.322 0.000 1.181 267 A CA 1.544 53.423 52.037 -0.264 0.000 0.623 267 A CB -0.625 18.264 19.000 -0.184 0.000 0.818 267 A HN 0.486 nan 8.150 nan 0.000 0.443 268 I N -0.429 120.022 120.570 -0.199 0.000 2.127 268 I HA -0.254 3.917 4.170 0.000 0.000 0.241 268 I C 2.398 178.433 176.117 -0.138 0.000 1.075 268 I CA 1.407 62.609 61.300 -0.162 0.000 1.334 268 I CB -0.374 37.564 38.000 -0.103 0.000 1.040 268 I HN 0.168 nan 8.210 nan 0.000 0.405 269 V N 1.022 120.872 119.914 -0.107 0.000 2.282 269 V HA -0.376 3.744 4.120 0.000 0.000 0.249 269 V C 2.699 178.756 176.094 -0.061 0.000 1.057 269 V CA 2.162 64.439 62.300 -0.039 0.000 1.032 269 V CB -1.243 30.564 31.823 -0.028 0.000 0.645 269 V HN 0.548 nan 8.190 nan 0.000 0.447 270 A N -0.340 122.292 122.820 -0.312 0.000 1.883 270 A HA -0.188 4.133 4.320 0.000 0.000 0.217 270 A C 2.220 179.691 177.584 -0.187 0.000 1.186 270 A CA 2.023 53.806 52.037 -0.424 0.000 0.624 270 A CB -0.593 17.745 19.000 -1.104 0.000 0.822 270 A HN 0.518 nan 8.150 nan 0.000 0.444 271 L N -0.387 120.671 121.223 -0.275 0.000 2.131 271 L HA -0.178 4.162 4.340 0.000 0.000 0.210 271 L C 2.637 179.499 176.870 -0.013 0.000 1.092 271 L CA 1.611 56.350 54.840 -0.169 0.000 0.759 271 L CB -0.406 41.497 42.059 -0.259 0.000 0.903 271 L HN 0.583 nan 8.230 nan 0.000 0.435 272 R N -1.455 119.026 120.500 -0.032 0.000 2.323 272 R HA -0.070 4.270 4.340 0.000 0.000 0.198 272 R C 0.671 176.877 176.300 -0.156 0.000 0.988 272 R CA 0.789 56.849 56.100 -0.066 0.000 1.041 272 R CB -0.388 29.858 30.300 -0.090 0.000 0.926 272 R HN 0.361 nan 8.270 nan 0.000 0.476 273 H N 0.217 119.277 119.070 -0.016 0.000 2.528 273 H HA 0.162 4.718 4.556 0.000 0.000 0.282 273 H C 1.337 176.673 175.328 0.014 0.000 1.097 273 H CA 0.314 56.358 56.048 -0.006 0.000 1.121 273 H CB 1.041 30.792 29.762 -0.018 0.000 1.590 273 H HN 0.362 nan 8.280 nan 0.000 0.553 274 S N -0.472 115.297 115.700 0.116 0.000 2.383 274 S HA -0.172 4.298 4.470 0.000 0.000 0.227 274 S C 2.419 176.995 174.600 -0.040 0.000 1.026 274 S CA 0.718 58.956 58.200 0.064 0.000 0.981 274 S CB -0.214 63.068 63.200 0.137 0.000 0.818 274 S HN 0.424 nan 8.310 nan 0.000 0.472 275 A N 2.348 125.163 122.820 -0.009 0.000 1.865 275 A HA -0.196 4.124 4.320 0.000 0.000 0.217 275 A C 1.978 179.539 177.584 -0.040 0.000 1.191 275 A CA 2.067 54.087 52.037 -0.028 0.000 0.623 275 A CB -1.396 17.590 19.000 -0.023 0.000 0.826 275 A HN 0.628 nan 8.150 nan 0.000 0.444 276 D N -1.533 118.859 120.400 -0.014 0.000 2.078 276 D HA -0.118 4.522 4.640 0.000 0.000 0.193 276 D C 1.998 178.273 176.300 -0.042 0.000 0.990 276 D CA 2.107 56.099 54.000 -0.013 0.000 0.827 276 D CB -0.157 40.665 40.800 0.037 0.000 0.975 276 D HN 0.357 nan 8.370 nan 0.000 0.451 277 T N 0.300 114.841 114.554 -0.022 0.000 2.665 277 T HA -0.170 4.180 4.350 0.000 0.000 0.268 277 T C 1.939 176.564 174.700 -0.125 0.000 1.035 277 T CA 1.101 63.173 62.100 -0.047 0.000 1.151 277 T CB -0.425 68.445 68.868 0.003 0.000 0.862 277 T HN 0.177 nan 8.240 nan 0.000 0.438 278 L N 0.823 121.931 121.223 -0.193 0.000 2.465 278 L HA 0.082 4.422 4.340 0.000 0.000 0.224 278 L C 2.848 179.625 176.870 -0.155 0.000 1.145 278 L CA 0.496 55.192 54.840 -0.240 0.000 0.834 278 L CB -0.771 41.104 42.059 -0.307 0.000 0.944 278 L HN 0.357 nan 8.230 nan 0.000 0.451 279 G N 0.240 108.966 108.800 -0.123 0.000 2.462 279 G HA2 -0.318 3.642 3.960 0.000 0.000 0.220 279 G HA3 -0.318 3.642 3.960 0.000 0.000 0.220 279 G C 1.695 176.518 174.900 -0.129 0.000 1.121 279 G CA 1.353 46.388 45.100 -0.108 0.000 0.758 279 G HN 0.475 nan 8.290 nan 0.000 0.559 280 T N -0.701 113.753 114.554 -0.167 0.000 2.803 280 T HA -0.137 4.213 4.350 0.000 0.000 0.269 280 T C 2.249 176.959 174.700 0.017 0.000 1.052 280 T CA 1.328 63.318 62.100 -0.182 0.000 1.136 280 T CB -0.497 68.282 68.868 -0.148 0.000 0.864 280 T HN 0.046 nan 8.240 nan 0.000 0.467 281 V N 2.111 122.029 119.914 0.008 0.000 2.380 281 V HA -0.220 3.900 4.120 0.000 0.000 0.251 281 V C 2.723 178.887 176.094 0.117 0.000 1.063 281 V CA 2.250 64.597 62.300 0.079 0.000 1.055 281 V CB -0.788 30.951 31.823 -0.141 0.000 0.657 281 V HN 0.620 nan 8.190 nan 0.000 0.455 282 E N -0.114 120.107 120.200 0.034 0.000 2.072 282 E HA -0.197 4.153 4.350 0.000 0.000 0.191 282 E C 2.292 178.923 176.600 0.051 0.000 0.985 282 E CA 1.082 57.502 56.400 0.033 0.000 0.801 282 E CB -0.185 29.513 29.700 -0.004 0.000 0.750 282 E HN 0.571 nan 8.360 nan 0.000 0.452 283 K N 0.717 121.142 120.400 0.042 0.000 2.057 283 K HA -0.117 4.204 4.320 0.000 0.000 0.207 283 K C 2.186 178.866 176.600 0.133 0.000 1.049 283 K CA 1.030 57.363 56.287 0.076 0.000 0.931 283 K CB -0.143 32.393 32.500 0.060 0.000 0.714 283 K HN 0.094 nan 8.250 nan 0.000 0.440 284 L N 0.978 122.310 121.223 0.181 0.000 2.093 284 L HA -0.187 4.153 4.340 0.000 0.000 0.208 284 L C 2.725 179.650 176.870 0.092 0.000 1.085 284 L CA 1.343 56.285 54.840 0.169 0.000 0.755 284 L CB -0.674 41.534 42.059 0.248 0.000 0.904 284 L HN 0.297 nan 8.230 nan 0.000 0.435 285 S N -0.439 115.327 115.700 0.111 0.000 2.383 285 S HA -0.131 4.339 4.470 0.000 0.000 0.227 285 S C 1.934 176.556 174.600 0.036 0.000 1.026 285 S CA 1.185 59.425 58.200 0.067 0.000 0.981 285 S CB -0.633 62.620 63.200 0.087 0.000 0.818 285 S HN 0.160 nan 8.310 nan 0.000 0.472 286 V N 2.154 122.095 119.914 0.046 0.000 2.407 286 V HA -0.095 4.025 4.120 0.000 0.000 0.248 286 V C 3.014 179.127 176.094 0.031 0.000 1.055 286 V CA 1.997 64.318 62.300 0.035 0.000 1.049 286 V CB -0.722 31.125 31.823 0.040 0.000 0.662 286 V HN 0.483 nan 8.190 nan 0.000 0.455 287 E N -0.111 120.112 120.200 0.039 0.000 2.107 287 E HA -0.159 4.191 4.350 0.000 0.000 0.191 287 E C 2.366 178.967 176.600 0.002 0.000 0.982 287 E CA 0.641 57.058 56.400 0.028 0.000 0.809 287 E CB -0.301 29.422 29.700 0.040 0.000 0.756 287 E HN 0.440 nan 8.360 nan 0.000 0.459 288 R N 0.989 121.478 120.500 -0.018 0.000 2.083 288 R HA -0.131 4.209 4.340 0.000 0.000 0.237 288 R C 2.245 178.527 176.300 -0.030 0.000 1.137 288 R CA 1.335 57.404 56.100 -0.053 0.000 0.951 288 R CB -0.289 29.955 30.300 -0.094 0.000 0.851 288 R HN 0.023 nan 8.270 nan 0.000 0.434 289 V N 0.989 120.896 119.914 -0.012 0.000 2.295 289 V HA -0.243 3.877 4.120 0.000 0.000 0.246 289 V C 2.670 178.767 176.094 0.006 0.000 1.049 289 V CA 2.147 64.446 62.300 -0.002 0.000 1.024 289 V CB -0.645 31.182 31.823 0.005 0.000 0.648 289 V HN 0.407 nan 8.190 nan 0.000 0.447 290 R N -0.256 120.251 120.500 0.011 0.000 2.073 290 R HA -0.143 4.198 4.340 0.000 0.000 0.234 290 R C 2.240 178.552 176.300 0.019 0.000 1.134 290 R CA 1.793 57.903 56.100 0.017 0.000 0.952 290 R CB -0.350 29.963 30.300 0.022 0.000 0.850 290 R HN 0.384 nan 8.270 nan 0.000 0.433 291 V N 0.946 120.871 119.914 0.019 0.000 2.295 291 V HA -0.238 3.883 4.120 0.000 0.000 0.246 291 V C 2.467 178.572 176.094 0.018 0.000 1.049 291 V CA 1.967 64.289 62.300 0.037 0.000 1.024 291 V CB -0.727 31.115 31.823 0.031 0.000 0.648 291 V HN 0.561 nan 8.190 nan 0.000 0.447 292 A N -0.073 122.747 122.820 0.000 0.000 1.902 292 A HA -0.134 4.186 4.320 0.000 0.000 0.217 292 A C 2.440 180.037 177.584 0.022 0.000 1.181 292 A CA 2.179 54.220 52.037 0.006 0.000 0.623 292 A CB -0.855 18.147 19.000 0.005 0.000 0.818 292 A HN 0.574 nan 8.150 nan 0.000 0.443 293 A N -0.253 122.580 122.820 0.021 0.000 1.865 293 A HA -0.199 4.122 4.320 0.000 0.000 0.217 293 A C 2.208 179.810 177.584 0.029 0.000 1.191 293 A CA 2.311 54.363 52.037 0.025 0.000 0.623 293 A CB -0.487 18.525 19.000 0.020 0.000 0.826 293 A HN 0.435 nan 8.150 nan 0.000 0.444 294 R N 0.105 120.619 120.500 0.023 0.000 2.081 294 R HA -0.000 4.340 4.340 0.000 0.000 0.235 294 R C 1.918 178.240 176.300 0.036 0.000 1.131 294 R CA 1.605 57.717 56.100 0.021 0.000 0.960 294 R CB -1.037 29.267 30.300 0.008 0.000 0.856 294 R HN 0.545 nan 8.270 nan 0.000 0.436 295 L N 0.150 121.389 121.223 0.025 0.000 2.042 295 L HA -0.178 4.163 4.340 0.000 0.000 0.210 295 L C 2.347 179.329 176.870 0.187 0.000 1.076 295 L CA 1.858 56.740 54.840 0.071 0.000 0.749 295 L CB -0.486 41.513 42.059 -0.099 0.000 0.893 295 L HN 0.327 nan 8.230 nan 0.000 0.432 296 E N -0.161 120.106 120.200 0.112 0.000 2.077 296 E HA -0.287 4.063 4.350 0.000 0.000 0.193 296 E C 2.078 178.719 176.600 0.069 0.000 0.989 296 E CA 1.284 57.743 56.400 0.099 0.000 0.800 296 E CB -0.046 29.697 29.700 0.071 0.000 0.746 296 E HN 0.446 nan 8.360 nan 0.000 0.452 297 E N 0.374 120.606 120.200 0.054 0.000 2.160 297 E HA -0.215 4.135 4.350 0.000 0.000 0.195 297 E C 1.814 178.428 176.600 0.024 0.000 0.991 297 E CA 0.671 57.090 56.400 0.031 0.000 0.810 297 E CB 0.145 29.860 29.700 0.024 0.000 0.742 297 E HN 0.073 nan 8.360 nan 0.000 0.466 298 L N -0.817 120.438 121.223 0.052 0.000 2.217 298 L HA 0.078 4.418 4.340 0.000 0.000 0.211 298 L C 1.859 178.679 176.870 -0.082 0.000 1.107 298 L CA 1.873 56.726 54.840 0.022 0.000 0.783 298 L CB -0.051 42.093 42.059 0.141 0.000 0.919 298 L HN 0.426 nan 8.230 nan 0.000 0.442 299 G N -3.647 105.117 108.800 -0.060 0.000 2.227 299 G HA2 -0.229 3.731 3.960 0.000 0.000 0.168 299 G HA3 -0.229 3.731 3.960 0.000 0.000 0.168 299 G C -0.012 174.795 174.900 -0.155 0.000 1.006 299 G CA -0.499 44.522 45.100 -0.132 0.000 0.684 299 G HN 0.154 nan 8.290 nan 0.000 0.489 300 Y N 1.290 121.595 120.300 0.007 0.000 2.336 300 Y HA 0.532 5.082 4.550 0.001 0.000 0.331 300 Y C 1.039 176.964 175.900 0.040 0.000 1.211 300 Y CA 0.293 58.409 58.100 0.028 0.000 1.346 300 Y CB 1.158 39.695 38.460 0.128 0.000 1.271 300 Y HN 0.372 nan 8.280 nan 0.000 0.538 301 A N 3.522 126.455 122.820 0.189 0.000 2.376 301 A HA 0.501 4.822 4.320 0.000 0.000 0.298 301 A C -0.782 176.950 177.584 0.246 0.000 1.271 301 A CA -0.460 51.676 52.037 0.165 0.000 0.926 301 A CB -0.699 18.367 19.000 0.109 0.000 1.141 301 A HN 0.519 nan 8.150 nan 0.000 0.539 302 V N 4.321 124.371 119.914 0.226 0.000 2.398 302 V HA 0.246 4.367 4.120 0.000 0.000 0.286 302 V C 0.180 176.404 176.094 0.217 0.000 1.026 302 V CA -0.630 61.811 62.300 0.234 0.000 0.868 302 V CB 1.520 33.442 31.823 0.165 0.000 0.982 302 V HN 0.573 nan 8.190 nan 0.000 0.443 303 V N 7.456 127.522 119.914 0.253 0.000 2.488 303 V HA 0.241 4.361 4.120 0.000 0.000 0.277 303 V C -1.983 174.200 176.094 0.149 0.000 1.046 303 V CA -1.532 60.911 62.300 0.239 0.000 0.986 303 V CB 1.026 33.032 31.823 0.306 0.000 0.989 303 V HN 0.778 nan 8.190 nan 0.000 0.475 304 P HA 0.145 nan 4.420 nan 0.000 0.266 304 P C -0.459 176.843 177.300 0.003 0.000 1.195 304 P CA 0.356 63.486 63.100 0.050 0.000 0.768 304 P CB 0.585 32.314 31.700 0.048 0.000 0.838 305 S N 1.220 116.886 115.700 -0.057 0.000 2.536 305 S HA 0.300 4.770 4.470 0.000 0.000 0.287 305 S C -0.203 174.297 174.600 -0.166 0.000 1.101 305 S CA -0.602 57.500 58.200 -0.162 0.000 0.950 305 S CB 0.981 64.020 63.200 -0.269 0.000 1.056 305 S HN 0.370 nan 8.310 nan 0.000 0.481 306 E N 1.933 122.020 120.200 -0.189 0.000 2.685 306 E HA 0.215 4.565 4.350 0.000 0.000 0.208 306 E C -0.054 176.451 176.600 -0.158 0.000 0.996 306 E CA -0.217 56.112 56.400 -0.118 0.000 1.054 306 E CB 0.733 30.411 29.700 -0.036 0.000 1.075 306 E HN 0.644 nan 8.360 nan 0.000 0.460 307 S N 0.405 115.841 115.700 -0.439 0.000 2.837 307 S HA 0.230 4.701 4.470 0.000 0.000 0.314 307 S C 0.485 174.534 174.600 -0.919 0.000 1.098 307 S CA -0.858 56.928 58.200 -0.690 0.000 0.903 307 S CB 0.561 62.964 63.200 -1.329 0.000 1.310 307 S HN 0.150 nan 8.310 nan 0.000 0.581 308 N N 0.387 118.363 118.700 -1.207 0.000 2.327 308 N HA 0.245 4.986 4.740 0.000 0.000 0.231 308 N C -0.522 174.768 175.510 -0.367 0.000 1.130 308 N CA -0.490 52.045 53.050 -0.858 0.000 0.845 308 N CB -0.878 37.017 38.487 -0.987 0.000 1.073 308 N HN 0.669 nan 8.380 nan 0.000 0.496 309 F N -2.907 116.812 119.950 -0.386 0.000 2.711 309 F HA 0.776 5.303 4.527 0.000 0.000 0.313 309 F C -1.323 174.370 175.800 -0.179 0.000 1.141 309 F CA -1.475 56.364 58.000 -0.268 0.000 0.941 309 F CB 0.997 39.839 39.000 -0.263 0.000 1.349 309 F HN -0.251 nan 8.300 nan 0.000 0.464 310 V N 1.823 121.823 119.914 0.143 0.000 2.638 310 V HA 0.402 4.522 4.120 0.000 0.000 0.306 310 V C -1.394 174.945 176.094 0.408 0.000 1.052 310 V CA -0.580 61.813 62.300 0.154 0.000 0.885 310 V CB 1.801 33.642 31.823 0.029 0.000 0.999 310 V HN 0.721 nan 8.190 nan 0.000 0.424 311 F N 7.065 127.140 119.950 0.209 0.000 2.408 311 F HA 0.833 5.360 4.527 0.000 0.000 0.344 311 F C -0.506 175.491 175.800 0.328 0.000 1.112 311 F CA -1.358 56.751 58.000 0.181 0.000 1.096 311 F CB 1.077 40.059 39.000 -0.030 0.000 1.129 311 F HN 0.479 nan 8.300 nan 0.000 0.486 312 F N 2.915 122.784 119.950 -0.135 0.000 2.654 312 F HA 0.906 5.433 4.527 0.000 0.000 0.308 312 F C -0.625 175.100 175.800 -0.124 0.000 1.108 312 F CA -0.890 57.093 58.000 -0.027 0.000 0.957 312 F CB 1.151 40.155 39.000 0.007 0.000 1.309 312 F HN 0.686 nan 8.300 nan 0.000 0.446 313 G N 0.664 109.320 108.800 -0.239 0.000 2.846 313 G HA2 0.485 4.445 3.960 0.000 0.000 0.299 313 G HA3 0.485 4.445 3.960 0.000 0.000 0.299 313 G C -2.310 172.286 174.900 -0.507 0.000 1.242 313 G CA -0.875 43.771 45.100 -0.757 0.000 0.800 313 G HN 0.650 nan 8.290 nan 0.000 0.538 314 D N 0.208 120.275 120.400 -0.554 0.000 2.440 314 D HA 0.565 5.206 4.640 0.000 0.000 0.239 314 D C -0.743 175.272 176.300 -0.475 0.000 1.084 314 D CA -0.084 53.582 54.000 -0.556 0.000 0.843 314 D CB 1.214 41.852 40.800 -0.271 0.000 1.097 314 D HN 0.133 nan 8.370 nan 0.000 0.531 315 F N 0.519 120.400 119.950 -0.115 0.000 2.377 315 F HA 0.260 4.787 4.527 0.000 0.000 0.328 315 F C 1.873 177.660 175.800 -0.023 0.000 1.094 315 F CA -0.658 57.324 58.000 -0.031 0.000 1.093 315 F CB 1.160 40.162 39.000 0.002 0.000 1.214 315 F HN 0.218 nan 8.300 nan 0.000 0.518 316 S N -0.702 115.113 115.700 0.192 0.000 2.387 316 S HA -0.122 4.348 4.470 0.000 0.000 0.226 316 S C 0.127 174.802 174.600 0.126 0.000 1.026 316 S CA 1.170 59.441 58.200 0.118 0.000 0.972 316 S CB -0.202 63.050 63.200 0.086 0.000 0.814 316 S HN 0.631 nan 8.310 nan 0.000 0.477 317 D N 0.029 120.520 120.400 0.151 0.000 2.389 317 D HA 0.339 4.979 4.640 0.000 0.000 0.256 317 D C 0.347 176.698 176.300 0.085 0.000 1.239 317 D CA -0.400 53.668 54.000 0.113 0.000 0.925 317 D CB 1.001 41.853 40.800 0.087 0.000 1.145 317 D HN -0.090 nan 8.370 nan 0.000 0.542 318 Q N 1.196 121.050 119.800 0.089 0.000 2.170 318 Q HA -0.137 4.203 4.340 0.000 0.000 0.203 318 Q C 1.699 177.667 176.000 -0.053 0.000 0.976 318 Q CA 1.237 57.017 55.803 -0.039 0.000 0.858 318 Q CB -0.332 28.431 28.738 0.041 0.000 0.907 318 Q HN 0.599 nan 8.270 nan 0.000 0.433 319 H N 0.375 119.435 119.070 -0.017 0.000 2.357 319 H HA 0.083 4.639 4.556 0.000 0.000 0.301 319 H C 1.838 177.247 175.328 0.136 0.000 1.082 319 H CA 1.513 57.589 56.048 0.046 0.000 1.342 319 H CB 0.117 29.871 29.762 -0.013 0.000 1.389 319 H HN 0.344 nan 8.280 nan 0.000 0.511 320 A N 1.041 123.937 122.820 0.128 0.000 1.902 320 A HA -0.083 4.237 4.320 0.000 0.000 0.217 320 A C 2.703 180.260 177.584 -0.045 0.000 1.181 320 A CA 1.656 53.731 52.037 0.063 0.000 0.623 320 A CB -0.956 18.078 19.000 0.056 0.000 0.818 320 A HN 0.535 nan 8.150 nan 0.000 0.443 321 A N -1.469 121.258 122.820 -0.156 0.000 1.902 321 A HA -0.172 4.149 4.320 0.000 0.000 0.217 321 A C 1.984 179.542 177.584 -0.042 0.000 1.181 321 A CA 1.594 53.445 52.037 -0.309 0.000 0.623 321 A CB -0.905 17.437 19.000 -1.096 0.000 0.818 321 A HN 0.882 nan 8.150 nan 0.000 0.443 322 W N 0.577 121.753 121.300 -0.205 0.000 2.355 322 W HA -0.223 4.437 4.660 0.000 0.000 0.309 322 W C 2.221 178.691 176.519 -0.082 0.000 1.206 322 W CA 2.166 59.441 57.345 -0.117 0.000 1.284 322 W CB -0.245 29.031 29.460 -0.307 0.000 1.145 322 W HN 0.396 nan 8.180 nan 0.000 0.502 323 Q N 0.827 120.528 119.800 -0.165 0.000 2.119 323 Q HA -0.087 4.254 4.340 0.000 0.000 0.201 323 Q C 2.174 178.030 176.000 -0.241 0.000 0.972 323 Q CA 2.451 58.073 55.803 -0.300 0.000 0.847 323 Q CB -0.877 27.827 28.738 -0.056 0.000 0.903 323 Q HN 0.284 nan 8.270 nan 0.000 0.433 324 A N -0.774 121.944 122.820 -0.171 0.000 1.933 324 A HA -0.109 4.212 4.320 0.000 0.000 0.218 324 A C 1.807 179.246 177.584 -0.242 0.000 1.175 324 A CA 1.228 53.145 52.037 -0.200 0.000 0.628 324 A CB -0.793 18.070 19.000 -0.229 0.000 0.814 324 A HN 0.448 nan 8.150 nan 0.000 0.444 325 F N -0.958 118.868 119.950 -0.206 0.000 2.146 325 F HA -0.080 4.447 4.527 0.000 0.000 0.298 325 F C 2.034 177.689 175.800 -0.241 0.000 1.096 325 F CA 1.326 59.223 58.000 -0.171 0.000 1.275 325 F CB -0.432 38.490 39.000 -0.130 0.000 1.008 325 F HN 0.222 nan 8.300 nan 0.000 0.480 326 L N 0.263 121.347 121.223 -0.231 0.000 2.083 326 L HA -0.198 4.143 4.340 0.000 0.000 0.209 326 L C 1.761 178.517 176.870 -0.190 0.000 1.083 326 L CA 1.806 56.455 54.840 -0.319 0.000 0.752 326 L CB -0.940 40.738 42.059 -0.634 0.000 0.899 326 L HN 0.002 nan 8.230 nan 0.000 0.433 327 D N -0.472 119.827 120.400 -0.168 0.000 2.263 327 D HA -0.137 4.503 4.640 0.000 0.000 0.208 327 D C 1.799 178.047 176.300 -0.086 0.000 0.971 327 D CA 0.935 54.867 54.000 -0.114 0.000 0.867 327 D CB -0.043 40.693 40.800 -0.106 0.000 0.929 327 D HN 0.373 nan 8.370 nan 0.000 0.492 328 R N -0.603 119.848 120.500 -0.082 0.000 2.388 328 R HA 0.275 4.615 4.340 0.000 0.000 0.247 328 R C 1.118 177.403 176.300 -0.024 0.000 0.931 328 R CA 0.386 56.454 56.100 -0.053 0.000 1.082 328 R CB 0.514 30.776 30.300 -0.063 0.000 1.135 328 R HN 0.087 nan 8.270 nan 0.000 0.525 329 G N 0.389 109.166 108.800 -0.037 0.000 2.159 329 G HA2 -0.246 3.714 3.960 0.000 0.000 0.256 329 G HA3 -0.246 3.714 3.960 0.000 0.000 0.256 329 G C 0.009 174.904 174.900 -0.008 0.000 0.977 329 G CA 0.017 45.100 45.100 -0.028 0.000 0.652 329 G HN 0.161 nan 8.290 nan 0.000 0.531 330 V N 1.178 121.103 119.914 0.019 0.000 2.334 330 V HA 0.630 4.751 4.120 0.000 0.000 0.281 330 V C 0.084 176.159 176.094 -0.031 0.000 1.016 330 V CA -0.805 61.532 62.300 0.061 0.000 0.832 330 V CB 1.555 33.520 31.823 0.236 0.000 0.999 330 V HN 0.383 nan 8.190 nan 0.000 0.439 331 L N 8.256 129.439 121.223 -0.066 0.000 2.264 331 L HA 0.627 4.967 4.340 0.000 0.000 0.287 331 L C -0.098 176.739 176.870 -0.055 0.000 1.039 331 L CA 0.323 55.100 54.840 -0.106 0.000 0.829 331 L CB 0.366 42.393 42.059 -0.053 0.000 1.211 331 L HN 0.685 nan 8.230 nan 0.000 0.427 332 I N 1.464 121.999 120.570 -0.058 0.000 4.030 332 I HA 0.710 4.880 4.170 0.000 0.000 0.248 332 I C -0.497 175.787 176.117 0.278 0.000 1.284 332 I CA -1.335 59.968 61.300 0.004 0.000 1.223 332 I CB 1.230 39.130 38.000 -0.167 0.000 1.446 332 I HN 0.537 nan 8.210 nan 0.000 0.519 333 R N 1.045 121.657 120.500 0.187 0.000 2.513 333 R HA 0.335 4.675 4.340 0.000 0.000 0.301 333 R C -1.684 174.600 176.300 -0.026 0.000 0.968 333 R CA -0.377 55.780 56.100 0.096 0.000 0.872 333 R CB 1.139 31.434 30.300 -0.008 0.000 1.177 333 R HN 0.705 nan 8.270 nan 0.000 0.444 334 D N 4.126 124.333 120.400 -0.321 0.000 2.412 334 D HA 0.090 4.730 4.640 0.000 0.000 0.224 334 D C 0.519 176.681 176.300 -0.230 0.000 1.093 334 D CA -0.476 53.323 54.000 -0.335 0.000 0.850 334 D CB 1.608 42.012 40.800 -0.660 0.000 1.046 334 D HN 0.370 nan 8.370 nan 0.000 0.507 335 V N 1.784 121.646 119.914 -0.085 0.000 3.577 335 V HA 0.387 4.507 4.120 0.000 0.000 0.294 335 V C 1.319 177.391 176.094 -0.036 0.000 1.317 335 V CA 0.314 62.578 62.300 -0.058 0.000 1.169 335 V CB -0.469 31.348 31.823 -0.011 0.000 1.011 335 V HN 0.708 nan 8.190 nan 0.000 0.426 336 G N 0.999 109.774 108.800 -0.042 0.000 2.160 336 G HA2 -0.197 3.763 3.960 0.000 0.000 0.251 336 G HA3 -0.197 3.763 3.960 0.000 0.000 0.251 336 G C -0.177 174.754 174.900 0.052 0.000 1.008 336 G CA 0.360 45.450 45.100 -0.018 0.000 0.724 336 G HN 0.518 nan 8.290 nan 0.000 0.514 337 I N 1.045 121.684 120.570 0.115 0.000 2.321 337 I HA 0.593 4.763 4.170 0.000 0.000 0.291 337 I C 1.104 177.353 176.117 0.220 0.000 0.998 337 I CA -1.022 60.399 61.300 0.201 0.000 1.227 337 I CB 0.831 39.026 38.000 0.325 0.000 1.368 337 I HN 0.381 nan 8.210 nan 0.000 0.466 338 A N 4.531 127.479 122.820 0.213 0.000 2.584 338 A HA 0.371 4.692 4.320 0.000 0.000 0.239 338 A C 1.431 179.169 177.584 0.257 0.000 1.043 338 A CA 0.890 53.044 52.037 0.195 0.000 0.756 338 A CB -0.431 18.668 19.000 0.165 0.000 0.963 338 A HN 1.430 nan 8.150 nan 0.000 0.511 339 G N 1.718 110.613 108.800 0.157 0.000 2.220 339 G HA2 -0.255 3.705 3.960 0.000 0.000 0.269 339 G HA3 -0.255 3.705 3.960 0.000 0.000 0.269 339 G C 0.144 174.934 174.900 -0.183 0.000 0.977 339 G CA 1.203 46.320 45.100 0.027 0.000 0.634 339 G HN 1.275 nan 8.290 nan 0.000 0.539 340 H N -1.034 118.010 119.070 -0.044 0.000 2.747 340 H HA 0.828 5.385 4.556 0.000 0.000 0.371 340 H C 0.169 175.291 175.328 -0.343 0.000 1.161 340 H CA -0.676 55.132 56.048 -0.400 0.000 1.167 340 H CB 1.698 30.835 29.762 -1.041 0.000 1.732 340 H HN 0.231 nan 8.280 nan 0.000 0.544 341 L N 0.847 121.798 121.223 -0.454 0.000 2.327 341 L HA 0.589 4.929 4.340 0.000 0.000 0.258 341 L C -0.474 176.278 176.870 -0.196 0.000 1.024 341 L CA -0.978 53.676 54.840 -0.311 0.000 0.825 341 L CB 2.508 44.351 42.059 -0.359 0.000 1.386 341 L HN 0.387 nan 8.230 nan 0.000 0.417 342 R N 0.500 121.036 120.500 0.060 0.000 2.393 342 R HA 0.454 4.794 4.340 0.000 0.000 0.315 342 R C -1.143 175.208 176.300 0.084 0.000 0.952 342 R CA -0.213 55.998 56.100 0.185 0.000 0.842 342 R CB 1.848 32.204 30.300 0.094 0.000 1.163 342 R HN 0.650 nan 8.270 nan 0.000 0.450 343 T N 2.429 117.034 114.554 0.085 0.000 2.794 343 T HA 0.290 4.641 4.350 0.000 0.000 0.280 343 T C -0.351 174.250 174.700 -0.164 0.000 0.987 343 T CA -0.207 61.758 62.100 -0.226 0.000 0.993 343 T CB 1.116 69.491 68.868 -0.821 0.000 0.939 343 T HN 0.544 nan 8.240 nan 0.000 0.449 344 T N 6.145 120.601 114.554 -0.164 0.000 2.907 344 T HA 0.347 4.698 4.350 0.000 0.000 0.298 344 T C 0.442 175.042 174.700 -0.166 0.000 1.017 344 T CA -0.603 61.442 62.100 -0.090 0.000 1.118 344 T CB 0.168 69.002 68.868 -0.056 0.000 0.948 344 T HN 0.442 nan 8.240 nan 0.000 0.531 345 I N 3.349 123.841 120.570 -0.129 0.000 2.471 345 I HA 0.304 4.475 4.170 0.000 0.000 0.286 345 I C 1.138 177.204 176.117 -0.086 0.000 1.079 345 I CA 0.056 61.282 61.300 -0.125 0.000 1.398 345 I CB 0.160 38.096 38.000 -0.107 0.000 1.403 345 I HN 0.727 nan 8.210 nan 0.000 0.530 346 G N 5.701 114.445 108.800 -0.093 0.000 2.828 346 G HA2 0.612 4.572 3.960 0.000 0.000 0.244 346 G HA3 0.612 4.572 3.960 0.000 0.000 0.244 346 G C -0.148 174.679 174.900 -0.122 0.000 1.365 346 G CA -0.467 44.567 45.100 -0.109 0.000 1.041 346 G HN 0.517 nan 8.290 nan 0.000 0.560 347 V N -1.713 118.081 119.914 -0.201 0.000 3.003 347 V HA 0.323 4.443 4.120 0.000 0.000 0.305 347 V C -1.411 174.651 176.094 -0.053 0.000 1.078 347 V CA -1.101 61.089 62.300 -0.183 0.000 1.083 347 V CB 1.207 32.863 31.823 -0.278 0.000 1.039 347 V HN 0.450 nan 8.190 nan 0.000 0.481 348 P HA -0.222 nan 4.420 nan 0.000 0.217 348 P C 1.635 178.946 177.300 0.017 0.000 1.158 348 P CA 2.139 65.254 63.100 0.024 0.000 0.887 348 P CB 0.176 31.900 31.700 0.040 0.000 0.792 349 E N -0.428 119.776 120.200 0.007 0.000 2.153 349 E HA -0.219 4.131 4.350 0.000 0.000 0.194 349 E C 1.798 178.405 176.600 0.013 0.000 0.988 349 E CA 1.080 57.486 56.400 0.009 0.000 0.811 349 E CB -0.180 29.521 29.700 0.003 0.000 0.746 349 E HN 0.324 nan 8.360 nan 0.000 0.466 350 E N 0.018 120.217 120.200 -0.001 0.000 2.072 350 E HA -0.133 4.218 4.350 0.000 0.000 0.190 350 E C 1.952 178.586 176.600 0.057 0.000 0.982 350 E CA 0.818 57.224 56.400 0.010 0.000 0.803 350 E CB -0.001 29.680 29.700 -0.031 0.000 0.755 350 E HN 0.247 nan 8.360 nan 0.000 0.453 351 N N 1.326 120.056 118.700 0.049 0.000 2.166 351 N HA -0.145 4.595 4.740 0.000 0.000 0.186 351 N C 1.279 176.874 175.510 0.141 0.000 1.019 351 N CA 1.092 54.211 53.050 0.115 0.000 0.856 351 N CB -0.262 38.266 38.487 0.068 0.000 0.993 351 N HN 0.152 nan 8.380 nan 0.000 0.426 352 D N 1.036 121.480 120.400 0.074 0.000 2.123 352 D HA -0.071 4.570 4.640 0.000 0.000 0.196 352 D C 1.852 178.180 176.300 0.046 0.000 0.992 352 D CA 1.162 55.191 54.000 0.047 0.000 0.833 352 D CB -0.305 40.512 40.800 0.029 0.000 0.954 352 D HN 0.235 nan 8.370 nan 0.000 0.455 353 A N 0.373 123.231 122.820 0.064 0.000 1.898 353 A HA -0.154 4.167 4.320 0.000 0.000 0.216 353 A C 2.099 179.750 177.584 0.111 0.000 1.181 353 A CA 1.055 53.132 52.037 0.066 0.000 0.620 353 A CB -0.964 18.072 19.000 0.061 0.000 0.819 353 A HN 0.276 nan 8.150 nan 0.000 0.442 354 F N 0.372 120.336 119.950 0.023 0.000 2.102 354 F HA -0.151 4.376 4.527 0.001 0.000 0.298 354 F C 1.702 177.553 175.800 0.084 0.000 1.105 354 F CA 1.475 59.507 58.000 0.052 0.000 1.239 354 F CB -0.319 38.654 39.000 -0.046 0.000 0.991 354 F HN 0.129 nan 8.300 nan 0.000 0.474 355 L N 0.688 121.751 121.223 -0.266 0.000 2.093 355 L HA -0.165 4.175 4.340 0.000 0.000 0.208 355 L C 2.093 178.842 176.870 -0.202 0.000 1.085 355 L CA 1.584 56.215 54.840 -0.348 0.000 0.755 355 L CB -1.491 40.500 42.059 -0.113 0.000 0.904 355 L HN 0.139 nan 8.230 nan 0.000 0.435 356 D N -0.518 119.821 120.400 -0.102 0.000 2.117 356 D HA -0.108 4.532 4.640 0.000 0.000 0.198 356 D C 2.229 178.478 176.300 -0.084 0.000 0.982 356 D CA 1.404 55.363 54.000 -0.067 0.000 0.828 356 D CB 0.008 40.788 40.800 -0.033 0.000 0.967 356 D HN 0.277 nan 8.370 nan 0.000 0.464 357 A N 1.082 123.853 122.820 -0.081 0.000 1.902 357 A HA -0.048 4.272 4.320 0.000 0.000 0.217 357 A C 2.309 179.760 177.584 -0.221 0.000 1.181 357 A CA 2.234 54.200 52.037 -0.119 0.000 0.623 357 A CB -0.740 18.271 19.000 0.019 0.000 0.818 357 A HN 0.233 nan 8.150 nan 0.000 0.443 358 A N -0.250 122.466 122.820 -0.174 0.000 1.969 358 A HA 0.198 4.519 4.320 0.000 0.000 0.218 358 A C 2.461 180.097 177.584 0.086 0.000 1.169 358 A CA 1.911 53.909 52.037 -0.065 0.000 0.635 358 A CB -0.905 17.880 19.000 -0.358 0.000 0.810 358 A HN 1.020 nan 8.150 nan 0.000 0.445 359 A N 0.084 122.897 122.820 -0.012 0.000 1.877 359 A HA -0.196 4.124 4.320 0.000 0.000 0.216 359 A C 1.926 179.498 177.584 -0.019 0.000 1.186 359 A CA 1.671 53.711 52.037 0.005 0.000 0.620 359 A CB -0.533 18.451 19.000 -0.027 0.000 0.822 359 A HN 0.638 nan 8.150 nan 0.000 0.443 360 E N -0.518 119.647 120.200 -0.059 0.000 2.106 360 E HA -0.098 4.252 4.350 0.000 0.000 0.192 360 E C 1.864 178.417 176.600 -0.078 0.000 0.984 360 E CA 1.083 57.439 56.400 -0.073 0.000 0.806 360 E CB -0.231 29.412 29.700 -0.096 0.000 0.750 360 E HN 0.696 nan 8.360 nan 0.000 0.458 361 I N 0.843 121.350 120.570 -0.103 0.000 2.406 361 I HA -0.180 3.991 4.170 0.000 0.000 0.249 361 I C 2.488 178.634 176.117 0.049 0.000 1.122 361 I CA 0.476 61.717 61.300 -0.099 0.000 1.431 361 I CB -0.006 37.795 38.000 -0.331 0.000 1.087 361 I HN 0.099 nan 8.210 nan 0.000 0.424 362 I N 1.200 121.823 120.570 0.089 0.000 2.335 362 I HA -0.322 3.848 4.170 0.000 0.000 0.251 362 I C 2.312 178.392 176.117 -0.063 0.000 1.129 362 I CA 1.647 62.917 61.300 -0.049 0.000 1.402 362 I CB -0.072 37.748 38.000 -0.300 0.000 1.069 362 I HN 0.147 nan 8.210 nan 0.000 0.424 363 K N 0.211 120.583 120.400 -0.046 0.000 2.211 363 K HA -0.085 4.236 4.320 0.000 0.000 0.203 363 K C 1.908 178.491 176.600 -0.028 0.000 1.050 363 K CA 1.060 57.321 56.287 -0.043 0.000 0.945 363 K CB -0.101 32.375 32.500 -0.041 0.000 0.732 363 K HN 0.382 nan 8.250 nan 0.000 0.451 364 L N 0.644 121.857 121.223 -0.018 0.000 2.275 364 L HA -0.088 4.252 4.340 0.000 0.000 0.215 364 L C 0.400 177.278 176.870 0.012 0.000 1.119 364 L CA 0.234 55.069 54.840 -0.009 0.000 0.790 364 L CB -0.742 41.307 42.059 -0.018 0.000 0.919 364 L HN 0.346 nan 8.230 nan 0.000 0.443 365 N N 0.388 119.104 118.700 0.027 0.000 2.708 365 N HA -0.184 4.557 4.740 0.000 0.000 0.255 365 N C -0.405 175.152 175.510 0.080 0.000 1.046 365 N CA 0.349 53.422 53.050 0.038 0.000 0.715 365 N CB -1.216 37.275 38.487 0.005 0.000 0.895 365 N HN 0.228 nan 8.380 nan 0.000 0.545 366 L N 0.000 121.313 121.223 0.149 0.000 2.949 366 L HA 0.000 4.340 4.340 0.000 0.000 0.249 366 L CA 0.000 54.930 54.840 0.149 0.000 0.813 366 L CB 0.000 42.116 42.059 0.095 0.000 0.961 366 L HN 0.000 nan 8.230 nan 0.000 0.502